data_2n49_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2n49 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.864 0.364 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.481 ' HA3' ' HE1' ' A' ' 48' ' ' PHE . . . -169.42 -171.19 34.82 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.466 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.9 t -140.15 148.87 42.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.77 0.319 . . . . 0.0 111.106 -176.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 94.6 mt -80.2 123.2 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 177.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.0 p -101.06 -33.5 10.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.196 -177.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.3 m -142.34 146.3 34.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 174.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 63.1 t-105 -140.07 126.61 20.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 -175.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -115.17 84.92 2.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 175.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -62.7 -26.0 68.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.91 -176.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -70.41 -30.09 66.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 177.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -102.92 -10.74 18.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -177.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.15 34.61 51.4 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.501 170.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -156.53 168.79 26.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.932 0.396 . . . . 0.0 110.841 170.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -148.85 -176.61 22.35 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 174.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -117.71 137.09 52.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.813 0.339 . . . . 0.0 110.893 -173.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 98.3 mt -134.47 139.94 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 -177.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -89.59 121.92 32.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -177.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -74.95 146.76 41.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.821 -177.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -51.57 -22.0 2.95 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 170.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 75.1 m-80 -89.43 -4.57 57.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -178.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.34 3.71 64.85 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.514 177.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -86.11 124.92 33.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.841 0.353 . . . . 0.0 110.837 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -94.05 109.61 21.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.951 178.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -138.63 163.97 30.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 -172.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -108.36 146.75 32.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -171.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -126.96 145.8 50.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.92 175.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -104.42 146.24 29.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -173.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.4 m -60.03 -25.23 32.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.085 -176.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 86.6 mt -69.72 -29.26 40.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 174.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -86.49 4.11 41.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 -176.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 98.2 t -98.53 125.89 51.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.97 -38.9 79.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 -178.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -69.45 152.16 96.5 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.625 0.726 . . . . 0.0 110.871 170.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -53.0 137.86 62.01 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.645 2.23 . . . . 0.0 112.353 -174.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 59.1 p30 -66.95 -5.32 12.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.845 176.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.2 mt -89.97 -5.29 56.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 177.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 87.8 mt -119.96 114.52 44.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 -178.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -133.77 149.7 51.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.41 ' HG3' ' H ' ' A' ' 44' ' ' ALA . 56.5 tptt -167.79 134.99 2.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 172.079 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 57.4 p-10 -87.03 0.3 55.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 -167.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.455 ' O ' ' HB3' ' A' ' 45' ' ' ALA . . . -84.49 -4.59 59.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.071 -165.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 44' ' ' ALA . . . 174.85 126.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 -176.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 92.2 t -135.63 145.62 31.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.073 171.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 89.9 m -120.95 132.02 54.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.177 168.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.481 ' HE1' ' HA3' ' A' ' 5' ' ' GLY . 51.4 p90 -155.32 166.71 32.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -166.04 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -96.85 143.94 27.0 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.606 0.717 . . . . 0.0 110.908 173.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -64.33 140.72 71.7 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.699 2.266 . . . . 0.0 112.353 178.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.7 t -160.8 178.55 9.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.13 -170.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 57.1 p -132.35 173.33 11.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 170.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 51.1 p30 -40.08 156.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 169.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 50.6 p-10 -76.91 11.58 1.7 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 -167.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -85.77 -28.28 24.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 173.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -112.33 -103.57 2.67 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.519 169.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.3 mt -73.96 149.78 41.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.806 0.336 . . . . 0.0 110.918 -170.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 97.5 p -104.47 162.99 12.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 178.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -130.5 145.64 51.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.096 -178.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -159.46 166.62 30.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 177.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.46 53.99 9.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.092 179.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 95.3 t -88.04 140.12 16.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.159 172.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -125.45 123.31 38.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -174.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 92.7 t -106.11 133.47 50.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.185 175.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.447 ' HB ' ' HB1' ' A' ' 45' ' ' ALA . 88.3 t . . . . . 0 C--N 1.33 -0.257 0 CA-C-O 121.644 0.735 . . . . 0.0 111.176 -169.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.922 0.391 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -160.03 -177.55 33.22 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.506 -178.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.8 t -136.44 149.1 48.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.751 0.31 . . . . 0.0 111.126 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.428 HG13 HG22 ' A' ' 46' ' ' VAL . 94.1 mt -80.98 121.11 33.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.075 178.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.7 m -100.37 -37.91 8.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.128 -176.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 89.9 m -138.84 140.15 38.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.183 -177.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 40.9 t-105 -142.06 126.74 18.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.978 -175.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -117.62 89.14 3.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.861 170.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -62.43 -25.34 67.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.89 -176.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -69.55 -28.88 66.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -103.21 -13.49 16.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.91 -178.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.42 32.68 68.08 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.496 -174.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.438 ' CZ ' ' HB3' ' A' ' 28' ' ' TYR . 86.7 t80 -143.01 135.11 27.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.928 0.394 . . . . 0.0 110.895 -167.149 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -151.5 -178.78 26.6 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.5 -173.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -134.87 135.01 41.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.775 0.321 . . . . 0.0 110.939 -173.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 92.4 mt -129.94 136.27 59.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.16 -171.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -106.07 122.2 45.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.948 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -82.1 139.39 34.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.833 177.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.68 -13.04 52.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 176.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -94.48 7.43 45.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 177.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.6 -1.16 75.14 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.535 171.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -85.45 90.86 8.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.858 0.361 . . . . 0.0 110.911 178.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -101.66 112.73 25.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.964 -173.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.44 ' HE ' ' HA ' ' A' ' 52' ' ' THR . 88.6 mmt-85 -139.07 156.84 46.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 -163.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.438 ' HB3' ' CZ ' ' A' ' 16' ' ' PHE . 88.4 m-85 -89.99 141.08 29.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 174.122 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -134.2 150.28 51.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.888 -178.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -110.16 147.91 32.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 177.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.4 m -59.18 -25.29 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.052 -176.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.1 mt -66.87 -29.93 47.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.148 176.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -86.09 5.17 34.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -176.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.476 ' HA ' ' HB ' ' A' ' 62' ' ' VAL . 54.6 t -94.67 120.19 43.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.045 -179.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.403 ' HB3' ' HA ' ' A' ' 61' ' ' ALA . . . -69.8 -40.13 76.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.093 -178.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -68.52 156.48 90.52 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.616 0.722 . . . . 0.0 110.886 170.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -49.72 126.78 17.17 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.625 2.217 . . . . 0.0 112.369 -175.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 58.9 p30 -67.82 -4.7 13.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.817 176.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.7 mt -87.56 -5.72 58.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.825 176.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 89.2 mt -119.36 114.18 43.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.094 -178.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -129.0 142.17 51.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.861 176.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.415 ' HG3' ' H ' ' A' ' 44' ' ' ALA . 56.3 tptt -169.13 130.49 1.16 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.916 173.065 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 56.3 p30 -81.06 4.37 20.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.86 -171.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.514 ' O ' ' HB3' ' A' ' 45' ' ' ALA . . . -81.11 -4.89 56.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.104 -170.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 44' ' ' ALA . . . 173.95 125.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.169 178.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.428 HG22 HG13 ' A' ' 7' ' ' ILE . 53.6 t -135.08 144.96 32.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.069 170.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.1 m -127.59 137.25 52.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.151 169.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 42.5 p90 -161.34 171.81 17.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -173.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -91.0 146.74 34.28 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.598 0.713 . . . . 0.0 110.917 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -63.12 141.66 83.97 Favored 'Trans proline' 0 N--CA 1.464 -0.227 0 C-N-CA 122.692 2.262 . . . . 0.0 112.433 174.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.6 t -164.01 173.02 13.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.179 -167.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.44 ' HA ' ' HE ' ' A' ' 27' ' ' ARG . 61.6 p -133.78 169.21 17.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.169 167.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -40.26 150.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.883 172.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 50.5 p-10 -76.4 14.18 0.81 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -166.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -79.6 -30.57 41.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 170.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -110.89 -88.76 1.88 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.543 164.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.406 ' HB2' ' H ' ' A' ' 52' ' ' THR . 98.5 mt -78.96 154.0 29.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.752 0.31 . . . . 0.0 110.906 -172.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 92.7 p -98.04 161.6 13.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 174.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -124.64 136.8 54.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.059 -179.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 53.5 p90 -161.91 168.43 22.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -176.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.403 ' HA ' ' HB3' ' A' ' 35' ' ' ALA . . . 54.99 54.43 8.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.117 176.166 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.476 ' HB ' ' HA ' ' A' ' 34' ' ' VAL . 94.9 t -88.62 138.53 19.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 169.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -127.35 119.26 25.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.969 -175.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 89.3 t -107.31 134.44 49.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 177.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 76.9 t . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 121.651 0.738 . . . . 0.0 111.201 -169.96 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.898 0.38 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.69 -178.36 36.46 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.0 t -128.37 142.22 51.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.707 0.289 . . . . 0.0 111.101 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.442 HG13 HG22 ' A' ' 46' ' ' VAL . 97.2 mt -77.97 124.64 36.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 177.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 92.6 m -93.6 -39.19 10.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.182 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.448 HG23 ' HB3' ' A' ' 18' ' ' PHE . 11.2 t -149.67 148.84 29.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.178 178.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 52.4 t-105 -139.99 128.64 23.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.915 -172.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -118.86 90.1 3.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 176.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -65.19 -24.5 67.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.9 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -73.79 -30.51 62.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.911 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -100.47 -14.14 18.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.95 38.4 64.56 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.556 -176.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -152.21 142.83 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.964 0.411 . . . . 0.0 110.857 -166.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -159.26 -179.79 34.32 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.443 -177.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.448 ' HB3' HG23 ' A' ' 9' ' ' THR . 50.3 t80 -132.42 134.54 45.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 110.919 -172.541 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.424 HD11 HG11 ' A' ' 46' ' ' VAL . 98.7 mt -130.34 140.11 49.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.18 -172.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -104.86 124.08 48.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 178.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -79.71 137.25 36.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.816 -178.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -58.45 -17.21 18.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 173.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 75.1 m-80 -82.58 -2.2 53.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 177.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.47 -2.21 70.36 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.51 174.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -88.36 124.52 34.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.81 0.338 . . . . 0.0 110.87 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -99.54 122.94 43.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.958 -178.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -138.62 148.8 44.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 -169.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -98.81 142.17 30.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 173.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -131.54 145.42 51.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.842 -175.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -111.65 144.88 40.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.836 177.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 32.4 m -60.23 -22.39 24.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 -172.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 71.6 mt -62.9 -31.07 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -90.56 6.94 41.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 -178.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 54.7 t -100.3 122.4 52.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.13 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.58 -38.83 81.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.078 -176.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -73.63 154.88 89.49 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.646 0.736 . . . . 0.0 110.934 172.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.532 ' HB2' HG12 ' A' ' 40' ' ' ILE . 93.1 Cg_exo -54.07 138.6 70.95 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.694 2.263 . . . . 0.0 112.355 -171.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 60.0 p30 -60.82 -8.41 3.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 176.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.6 mt -85.16 -2.98 58.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 178.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.532 HG12 ' HB2' ' A' ' 37' ' ' PRO . 49.3 mm -105.27 112.65 39.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 -174.069 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -126.16 139.35 53.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 171.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -166.53 135.22 2.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 174.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 57.0 p-10 -91.01 -3.04 57.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.907 -166.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.44 ' O ' ' HB3' ' A' ' 45' ' ' ALA . . . -87.68 -3.91 58.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 -166.174 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.476 ' HB1' HG22 ' A' ' 65' ' ' VAL . . . 174.41 126.01 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.077 -174.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.442 HG22 HG13 ' A' ' 7' ' ' ILE . 86.4 t -137.9 145.49 28.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 164.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 89.7 m -122.74 139.35 54.07 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 171.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 39.7 p90 -157.8 169.56 24.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.804 -172.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -93.19 151.74 40.67 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.597 0.713 . . . . 0.0 110.877 176.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -62.37 138.08 69.15 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.698 2.265 . . . . 0.0 112.356 175.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.498 HG22 ' HB3' ' A' ' 59' ' ' ALA . 14.9 t -160.01 171.55 19.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.085 -170.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 33.8 p -134.84 176.08 8.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.198 164.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -37.87 153.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 167.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 50.6 p-10 -75.19 15.18 0.45 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.976 -163.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -90.44 -27.02 19.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.916 173.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -114.2 -104.82 2.6 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.421 172.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.6 mt -76.68 155.04 33.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 0.0 110.884 -168.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 92.7 p -110.24 157.38 19.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.498 ' HB3' HG22 ' A' ' 51' ' ' THR . . . -119.68 144.93 46.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.049 -179.319 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 54.6 p90 -154.88 164.11 39.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.941 -176.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.5 49.82 17.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.036 175.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 89.2 t -86.12 137.84 20.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 173.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -129.61 122.58 29.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -173.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 78.7 t -111.35 137.32 44.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 174.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.476 HG22 ' HB1' ' A' ' 45' ' ' ALA . 74.9 t . . . . . 0 C--N 1.33 -0.264 0 CA-C-O 121.686 0.755 . . . . 0.0 111.178 -169.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.854 0.359 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -173.15 -165.78 30.59 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.45 178.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 88.5 m -130.56 134.43 47.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.814 0.34 . . . . 0.0 111.075 175.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.6 mt -77.55 128.39 38.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.069 178.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.6 p -92.03 -26.48 18.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 -171.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 89.4 m -133.42 131.07 39.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.211 -177.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 18.1 t90 -88.82 114.11 25.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.889 177.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.445 ' HB3' ' O ' ' A' ' 16' ' ' PHE . 14.6 p90 -89.03 79.39 7.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.831 -179.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -75.55 -62.67 1.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.921 -176.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -95.83 -27.36 15.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -174.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -93.2 -31.95 14.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -163.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.57 19.82 78.93 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.454 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.445 ' O ' ' HB3' ' A' ' 11' ' ' PHE . 18.8 m-30 -109.66 109.27 19.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.908 0.385 . . . . 0.0 110.893 175.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -115.32 143.97 18.28 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.541 -171.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -128.37 138.2 52.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.908 0.385 . . . . 0.0 110.833 176.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.0 tt -129.98 139.44 51.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.187 -176.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.7 tptt -99.08 121.12 40.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.974 175.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -81.06 151.38 28.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.848 -170.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -60.28 -14.64 19.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.91 165.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -87.27 -13.26 44.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 173.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.81 2.29 59.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.497 171.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -92.34 147.11 23.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 110.897 176.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -94.66 128.56 41.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.788 173.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.7 mtt85 -119.05 142.34 47.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.805 -177.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -114.09 132.35 56.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -177.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -148.92 176.66 10.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.991 -172.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 67.7 m80 -124.9 158.47 33.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -172.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.409 ' O ' HG23 ' A' ' 34' ' ' VAL . 12.5 p -56.91 -25.18 21.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.125 176.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 45.9 pt -80.79 -14.26 12.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 -178.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -99.47 -5.43 29.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -171.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 31' ' ' VAL . 35.7 m -103.14 146.71 10.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.147 -172.464 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.77 -48.02 34.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.186 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -90.42 138.79 26.78 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-O 121.615 0.721 . . . . 0.0 110.864 173.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -75.97 165.38 29.98 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.609 2.206 . . . . 0.0 112.34 -167.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 53.0 p-10 -61.4 -14.58 29.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.899 175.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.0 mt -84.9 -27.98 26.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.94 -179.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 77.6 mt -110.06 86.76 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 177.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -127.21 150.5 49.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 175.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -157.94 142.51 16.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.872 177.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -84.5 -15.57 45.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.839 -160.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -84.24 2.19 41.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.197 -168.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -171.35 125.95 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.08 -176.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 89.4 t -140.69 135.9 34.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 164.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.6 t -138.67 147.85 43.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.147 172.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 53.9 p90 -150.52 167.49 27.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -168.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -101.71 127.82 30.38 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.605 0.717 . . . . 0.0 110.846 167.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -73.32 138.63 27.78 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.601 2.201 . . . . 0.0 112.306 -174.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.448 HG22 ' CD2' ' A' ' 60' ' ' TYR . 54.2 p -144.45 172.99 12.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.179 178.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.2 t -145.25 138.17 26.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.157 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 64.4 m-80 -120.83 163.3 18.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 171.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -67.32 -22.14 65.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 175.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -94.91 -4.66 46.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 145.19 165.95 11.48 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.433 176.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 88.5 mt -75.57 139.82 42.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.831 0.348 . . . . 0.0 110.891 -177.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 75.5 m -129.21 162.43 27.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -178.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -128.53 122.1 30.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.158 178.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.448 ' CD2' HG22 ' A' ' 51' ' ' THR . 21.5 m-30 -113.67 164.17 14.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 -172.517 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.01 54.29 9.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.106 176.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 95.6 t -83.37 132.65 30.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.196 -176.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -133.84 135.98 44.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 -170.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 93.0 t -97.99 125.02 51.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 175.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 85.8 t . . . . . 0 C--N 1.328 -0.356 0 CA-C-O 121.594 0.712 . . . . 0.0 111.133 -171.027 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 31.6 m120 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.82 0.343 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -160.03 -176.43 32.1 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.485 179.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 96.2 m -119.69 136.51 54.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.722 0.296 . . . . 0.0 111.085 176.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.5 mm -80.73 124.72 38.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.097 -177.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 96.9 m -84.77 -40.82 16.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.109 -175.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 92.8 m -135.11 133.53 39.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.189 -174.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 21.7 t90 -84.18 125.37 32.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 176.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.636 ' HB3' ' O ' ' A' ' 16' ' ' PHE . 17.8 p90 -89.24 80.0 6.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -72.4 -64.02 1.03 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 -178.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -98.29 -29.45 13.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.801 -172.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -92.23 -26.86 17.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.975 -162.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.63 18.85 80.03 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.467 -178.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.636 ' O ' ' HB3' ' A' ' 11' ' ' PHE . 21.0 m-85 -115.86 127.83 55.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.946 0.403 . . . . 0.0 110.866 178.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -130.52 153.48 20.22 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.5 -175.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -127.76 143.37 51.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 0.0 110.831 175.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.6 tt -134.17 137.43 51.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.206 -178.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -102.36 122.59 44.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 173.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -81.55 154.73 26.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.824 -167.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -61.01 -15.31 30.48 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 170.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -85.03 -13.57 50.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.921 174.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.06 3.47 60.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.507 175.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -89.9 148.38 23.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.885 0.374 . . . . 0.0 110.857 177.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -96.61 128.97 44.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 175.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.45 ' HG2' ' HB3' ' A' ' 57' ' ' LEU . 44.3 mtt85 -119.97 142.63 48.59 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.829 -179.274 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -112.93 128.38 56.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.95 175.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -137.61 170.11 16.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.954 -174.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 52.7 m80 -119.99 157.69 28.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -174.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.0 p -51.25 -29.84 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.089 177.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 47.6 pt -75.15 -17.9 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 -178.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.1 mttp -95.21 4.63 53.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 39.0 t -108.33 128.28 63.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.09 -178.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.05 -40.46 78.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 -177.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.406 HD21 ' HB ' ' A' ' 64' ' ' VAL . 99.3 m-20 -83.82 147.75 52.53 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.536 0.684 . . . . 0.0 110.957 172.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -70.57 163.47 38.8 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.599 2.199 . . . . 0.0 112.389 -176.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 52.1 p-10 -60.5 -14.92 22.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 176.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.5 mt -83.86 -19.98 33.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 77.3 mt -113.93 92.76 2.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.1 177.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -140.5 134.71 31.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 173.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -162.76 152.22 15.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -172.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 57.4 p30 -83.45 6.63 19.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.851 -173.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.18 -14.35 59.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.134 -170.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.433 ' HB1' ' H ' ' A' ' 65' ' ' VAL . . . -176.44 138.06 0.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.072 176.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 63.7 t -138.86 133.27 41.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.119 170.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.7 t -148.18 149.38 31.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 167.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -154.31 168.8 25.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -177.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -94.73 139.56 22.27 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.667 0.746 . . . . 0.0 110.856 176.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -67.02 122.84 10.21 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.684 2.256 . . . . 0.0 112.306 -176.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 36.7 p -143.48 166.04 25.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.105 177.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 10.1 t -157.85 145.19 18.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.104 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -115.61 162.74 16.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 175.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -68.27 -22.03 64.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 175.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -94.2 -4.2 49.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 147.27 159.76 8.51 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.5 179.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.45 ' HB3' ' HG2' ' A' ' 27' ' ' ARG . 11.2 mp -75.27 139.33 42.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.816 0.341 . . . . 0.0 110.923 -176.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 53.0 m -130.94 164.04 26.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.808 -176.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -113.33 134.7 54.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.181 176.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -129.64 147.17 51.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.975 -172.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 57.62 52.91 7.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.105 -176.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 88.5 t -80.23 129.78 37.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 -177.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -133.86 130.95 38.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -172.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.406 ' HB ' HD21 ' A' ' 36' ' ' ASN . 93.8 t -98.26 123.35 50.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.162 166.095 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.433 ' H ' ' HB1' ' A' ' 45' ' ' ALA . 83.9 t . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 121.628 0.728 . . . . 0.0 111.179 -168.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.906 0.384 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -176.71 -172.56 41.47 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.562 -178.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.3 p -128.43 147.74 50.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.824 0.345 . . . . 0.0 111.121 -178.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.1 mt -81.92 123.61 38.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.071 172.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.6 m -82.04 -39.33 23.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.033 175.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.1 t -147.52 141.41 25.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.174 177.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 18.2 t90 -129.6 124.87 34.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.951 -175.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -117.71 84.52 2.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 177.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -62.29 -38.56 89.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -177.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -70.13 -26.44 63.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -177.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -97.03 -13.65 22.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.9 31.72 61.81 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.464 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -135.33 142.95 45.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.967 0.413 . . . . 0.0 110.896 -174.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.408 ' HA3' ' CE1' ' A' ' 29' ' ' PHE . . . -142.1 162.22 27.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.466 176.069 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.504 ' CE2' ' HB3' ' A' ' 26' ' ' ASN . 45.7 t80 -139.35 132.98 30.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.889 0.375 . . . . 0.0 110.86 -178.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 43.4 pt -129.74 149.09 33.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.159 -162.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -108.28 131.27 54.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 169.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -76.13 156.31 33.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.809 -173.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -56.99 -17.37 9.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.78 163.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 -90.82 -7.03 53.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.834 175.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.18 -0.57 72.26 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.447 176.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -84.15 136.8 33.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.849 0.357 . . . . 0.0 110.873 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.504 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 72.6 m-80 -99.02 130.42 45.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.6 ptp85 -148.35 163.27 37.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 54.6 p90 -106.43 156.56 18.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.91 -174.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.412 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 31.2 p90 -139.72 162.34 35.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 172.314 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -119.76 147.62 44.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -178.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.6 p -57.96 -24.57 23.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.152 -179.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 49.3 pt -72.17 -18.89 19.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -97.48 14.44 26.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 58.7 t -101.85 127.45 55.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.1 -42.17 80.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 -175.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 -128.84 82.31 68.97 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.76 0.79 . . . . 0.0 110.943 177.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.74 -15.67 37.28 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.633 2.222 . . . . 0.0 112.358 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -74.86 -35.92 62.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 169.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 92.8 mt -100.09 -0.93 38.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.95 -175.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 18.8 tt -50.61 136.08 9.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.141 175.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -128.39 160.77 31.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.989 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.417 ' C ' ' N ' ' A' ' 44' ' ' ALA . 99.2 mttt -64.85 -176.46 0.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.781 171.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 57.6 p-10 -50.93 -12.65 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -178.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.417 ' N ' ' C ' ' A' ' 42' ' ' LYS . . . -53.34 -25.68 16.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 174.537 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -166.86 116.58 0.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.042 164.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 65.7 t -140.8 135.72 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 173.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.2 m -135.16 144.34 46.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.097 158.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 55.5 p90 -148.29 168.2 23.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -169.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -112.98 134.11 21.86 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.683 0.754 . . . . 0.0 110.815 172.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -78.32 148.64 24.06 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.664 2.243 . . . . 0.0 112.367 -174.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.1 t -155.11 163.02 40.83 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 175.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 85.4 m -131.8 129.58 40.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.081 -173.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.512 ' O ' ' HB2' ' A' ' 54' ' ' ASN . 60.0 t-20 -142.91 101.26 3.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 178.291 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.512 ' HB2' ' O ' ' A' ' 53' ' ' ASN . 71.9 m-20 74.96 -154.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -171.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -82.65 9.52 9.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -114.83 130.66 9.33 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.488 177.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 98.0 mt -80.69 145.02 31.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.756 0.313 . . . . 0.0 110.939 176.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.0 t -135.85 166.41 23.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 178.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.412 ' HB1' ' HB3' ' A' ' 29' ' ' PHE . . . -130.73 146.45 52.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.09 177.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -144.45 174.59 10.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.879 -176.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.45 54.27 8.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.055 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 93.0 t -79.02 131.38 34.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 -173.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -138.19 137.31 37.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -172.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 94.8 t -106.14 132.59 52.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.101 177.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.2 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 121.628 0.728 . . . . 0.0 111.111 -178.159 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.841 0.353 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.63 ' HA3' ' HE1' ' A' ' 48' ' ' PHE . . . -161.71 -173.8 30.81 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.623 -176.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.8 p -132.5 142.76 49.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.752 0.311 . . . . 0.0 111.193 177.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.9 mt -92.1 120.56 41.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 167.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 73.2 p -96.69 -22.82 16.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.036 -173.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 96.9 m -139.46 129.93 25.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.144 174.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -130.59 109.87 10.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.952 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -111.86 85.77 2.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 177.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.03 -39.6 90.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 -176.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -65.92 -25.63 67.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -178.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -99.83 -16.2 18.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.908 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.06 23.95 74.92 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.454 -175.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.2 m-30 -108.32 142.4 38.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.973 0.416 . . . . 0.0 110.931 -175.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.707 ' HA3' ' CZ ' ' A' ' 29' ' ' PHE . . . -141.94 157.33 26.35 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.496 169.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -134.56 139.76 45.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.839 0.352 . . . . 0.0 110.905 176.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.8 mt -126.19 139.05 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.197 -172.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -103.74 128.6 51.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.786 174.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.426 ' HB3' ' H ' ' A' ' 23' ' ' ASN . 98.1 m-20 -83.27 157.64 22.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.82 -171.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -53.22 -18.91 2.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.814 160.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.426 ' H ' ' HB3' ' A' ' 21' ' ' ASP . 95.7 m-20 -89.86 -11.32 42.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 177.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.08 1.45 65.03 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.434 170.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -89.18 143.6 26.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.871 0.367 . . . . 0.0 110.897 178.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 -97.54 131.84 43.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 176.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -132.17 147.91 52.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -176.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.471 ' O ' ' HA ' ' A' ' 58' ' ' SER . 39.5 t80 -95.16 146.39 24.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -177.032 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.707 ' CZ ' ' HA3' ' A' ' 17' ' ' GLY . 34.2 p90 -140.02 158.72 43.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 170.328 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -109.8 145.35 36.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 171.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.9 m -59.29 -23.42 24.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.177 179.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.2 mt -69.42 -26.81 32.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.145 174.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -92.94 7.06 45.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -178.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.624 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 96.9 t -100.6 135.37 36.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 -179.178 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.65 -42.09 91.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 -175.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -125.49 74.4 68.94 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.69 0.757 . . . . 0.0 110.893 176.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.624 ' HD3' ' O ' ' A' ' 34' ' ' VAL . 49.7 Cg_endo -70.28 -18.1 34.79 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 122.631 2.22 . . . . 0.0 112.369 179.106 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -73.07 -36.24 66.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.914 170.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.6 mt -97.89 -2.13 41.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -173.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 16.0 tt -63.46 137.02 25.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.198 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -138.22 169.5 17.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 -174.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -64.72 179.68 0.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.816 179.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 57.6 p30 -61.23 -2.26 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -176.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.32 -23.88 26.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.17 168.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -167.89 119.09 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.073 162.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.9 t -139.76 128.41 27.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 174.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 95.7 m -135.93 142.1 44.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.092 170.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.63 ' HE1' ' HA3' ' A' ' 5' ' ' GLY . 52.8 p90 -154.87 164.3 39.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.815 -175.229 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -92.22 143.02 26.84 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.649 0.737 . . . . 0.0 110.826 -178.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -56.47 131.39 45.43 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.685 2.257 . . . . 0.0 112.275 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.3 t -156.61 153.66 28.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 -175.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.9 t -150.49 140.88 22.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.077 174.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -138.19 79.1 1.72 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 -174.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 70.97 -154.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 173.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -78.75 -20.14 50.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -176.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -99.51 106.27 3.17 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.52 173.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.8 mt -73.95 130.21 39.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.838 0.351 . . . . 0.0 110.87 -170.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.471 ' HA ' ' O ' ' A' ' 28' ' ' TYR . 89.8 p -129.96 162.38 28.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 178.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.567 ' HB1' ' HB3' ' A' ' 29' ' ' PHE . . . -128.5 147.26 50.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.121 -177.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -135.46 156.54 48.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -176.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.87 61.16 3.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.066 171.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 95.3 t -83.83 104.55 12.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.163 -178.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -101.85 139.63 37.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.96 -176.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 86.0 t -105.41 138.75 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.143 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.2 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-O 121.611 0.719 . . . . 0.0 111.176 -179.21 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 . . . . . 0 CA--C 1.527 0.058 0 CA-C-O 120.839 0.352 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.29 176.41 20.78 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.468 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.4 HG21 ' HA ' ' A' ' 43' ' ' ASP . 93.9 m -131.54 131.62 43.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.321 . . . . 0.0 111.174 175.226 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 97.1 mt -98.23 123.63 50.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 172.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.5 p -91.62 -29.71 16.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 -178.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.9 m -147.49 137.71 23.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.233 177.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 66.1 t90 -150.98 128.46 11.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.828 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -112.05 114.46 27.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 178.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.67 -48.99 78.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 178.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -74.58 -29.08 61.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -171.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -98.34 -25.12 14.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -169.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.13 33.61 49.19 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.485 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -111.07 133.26 53.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.888 0.375 . . . . 0.0 110.904 173.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -148.23 150.55 22.76 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.438 176.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -128.69 151.13 49.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.807 0.336 . . . . 0.0 110.877 -179.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 92.8 mt -129.59 136.08 60.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.221 177.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -97.99 121.01 39.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 172.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -82.29 165.92 19.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.846 -172.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.88 -20.06 61.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 171.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -86.08 -11.04 53.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 176.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.57 4.76 63.7 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.465 175.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -83.07 134.84 35.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.738 0.304 . . . . 0.0 110.864 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 -91.78 116.14 28.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 176.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.472 ' HG2' ' HB3' ' A' ' 57' ' ' LEU . 51.2 mtt85 -117.44 140.46 49.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 -175.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -95.11 134.92 37.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.96 177.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.527 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 34.6 p90 -129.54 164.83 22.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.843 -177.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.424 ' HB3' HG12 ' A' ' 32' ' ' ILE . 95.3 m-70 -109.25 143.42 38.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.796 173.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.2 m -62.51 -24.07 34.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.178 178.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.424 HG12 ' HB3' ' A' ' 30' ' ' HIS . 44.6 pt -75.63 -16.21 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.02 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -97.05 14.34 25.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.511 ' HA ' ' HB ' ' A' ' 62' ' ' VAL . 60.0 t -105.66 137.78 33.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 -179.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.18 -46.74 69.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.078 -177.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -138.11 82.45 24.6 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.64 0.733 . . . . 0.0 110.885 175.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.62 -14.44 44.79 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.669 2.246 . . . . 0.0 112.396 -178.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -71.24 -28.79 64.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 175.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 95.6 mt -97.4 -4.95 37.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 -172.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.4 mm -66.64 133.07 31.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 176.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.474 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 99.3 mttt -124.24 156.34 37.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.881 177.37 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -49.18 -74.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -175.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.4 ' HA ' HG21 ' A' ' 6' ' ' THR . 68.8 m-20 -85.43 -28.42 25.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.886 -174.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -93.16 21.46 5.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 -170.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 41' ' ' LYS . . . -64.5 168.12 6.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.105 -172.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.3 m -106.98 -155.28 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 -171.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.0 t -107.58 168.68 9.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.089 -156.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -153.5 166.24 33.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -173.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -92.31 126.45 52.65 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.704 0.764 . . . . 0.0 110.881 172.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -72.85 151.26 50.88 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.683 2.255 . . . . 0.0 112.343 -174.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.9 t -164.95 173.95 11.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 178.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 86.9 m -141.82 138.14 31.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -128.12 159.8 33.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.876 176.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -74.39 -15.54 60.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.98 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -92.11 -14.36 29.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.836 177.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 147.78 169.78 15.28 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.499 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.472 ' HB3' ' HG2' ' A' ' 27' ' ' ARG . 96.1 mt -74.96 131.73 40.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.776 0.322 . . . . 0.0 110.961 -179.375 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.7 m -130.14 163.52 26.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -173.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.527 ' HB1' ' HB3' ' A' ' 29' ' ' PHE . . . -133.4 132.72 41.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.012 -178.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -134.38 166.21 23.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -177.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 56.29 56.81 5.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.121 177.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.511 ' HB ' ' HA ' ' A' ' 34' ' ' VAL . 93.9 t -77.42 122.71 32.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.22 179.336 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -119.35 125.3 48.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 -168.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 87.6 t -90.05 122.56 41.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 178.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 96.4 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.553 0.692 . . . . 0.0 111.161 177.721 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.806 0.336 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -137.24 178.03 19.32 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.435 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 90.8 m -134.91 131.59 37.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.842 0.354 . . . . 0.0 111.153 173.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 82.4 mt -98.6 125.0 52.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.172 170.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 80.6 p -90.56 -26.94 19.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.075 -175.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.1 t -150.07 140.71 22.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.155 176.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 40.4 t90 -149.99 124.84 9.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 177.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -114.99 107.48 15.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.923 178.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.09 -40.27 97.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 178.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -77.01 -35.24 57.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.795 -173.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -94.39 -25.61 16.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 -173.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.61 30.75 55.9 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.548 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -114.2 131.47 56.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.933 0.397 . . . . 0.0 110.909 172.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -152.26 154.64 25.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.471 176.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 19.2 m-30 -118.1 149.68 40.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.872 0.368 . . . . 0.0 110.891 177.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.7 mt -126.09 132.13 70.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.173 174.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -104.34 120.31 40.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 171.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -86.87 169.06 12.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -171.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.35 -22.26 66.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 171.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -84.47 -10.78 57.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.816 176.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.72 6.22 62.41 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.478 176.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -77.22 135.92 38.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.773 0.32 . . . . 0.0 110.78 -178.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -99.78 110.38 22.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 176.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 81.4 mtt85 -109.64 143.18 39.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.834 -176.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -99.67 131.78 45.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 169.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 1.037 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 37.1 p90 -131.49 159.18 38.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.841 -176.015 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 30.6 m80 -106.33 147.65 28.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 173.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.3 m -59.31 -23.27 24.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 177.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.9 pt -76.59 -18.28 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.157 177.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -94.54 8.02 43.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 60.3 t -104.91 140.16 23.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.095 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.24 -42.91 71.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -134.69 79.41 53.0 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.635 0.731 . . . . 0.0 110.909 175.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -65.89 -19.66 58.41 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.736 2.291 . . . . 0.0 112.316 -178.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -69.53 -28.11 65.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 176.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.8 mt -96.39 -5.71 39.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -174.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 24.1 mm -61.24 128.03 21.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.217 178.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.653 ' H ' ' HB3' ' A' ' 45' ' ' ALA . 74.7 mmtt -127.3 176.69 7.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.934 176.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -68.38 -82.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.88 173.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -84.21 -22.66 30.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.835 -175.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.98 -12.34 44.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.082 -165.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.653 ' HB3' ' H ' ' A' ' 41' ' ' LYS . . . -78.13 165.74 23.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.106 174.539 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.9 m -124.74 166.48 20.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 178.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.0 t -80.93 -168.14 1.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.166 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -157.31 178.53 10.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.856 -156.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -55.55 138.55 68.94 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.775 0.797 . . . . 0.0 110.85 -178.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -69.97 145.88 57.23 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.682 2.254 . . . . 0.0 112.376 -172.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.8 t -158.44 153.71 25.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.231 178.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.7 t -152.8 149.36 28.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.204 -178.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -135.29 152.84 51.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.92 177.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -75.62 -22.9 56.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 -177.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -85.98 -15.78 40.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 148.62 165.88 12.5 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.456 176.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.8 mt -71.89 127.96 34.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.352 . . . . 0.0 110.962 -177.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 94.7 p -147.69 162.53 38.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.839 175.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 1.037 ' HB1' ' HB3' ' A' ' 29' ' ' PHE . . . -120.2 134.57 55.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.065 -167.366 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -139.44 156.02 47.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 52.29 52.81 13.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.121 177.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.4 t -77.18 131.41 34.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.17 -175.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -117.75 125.93 51.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 -172.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 85.8 t -97.32 125.37 50.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 88.4 t . . . . . 0 C--N 1.33 -0.254 0 CA-C-O 121.572 0.701 . . . . 0.0 111.115 -179.628 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 . . . . . 0 CA--C 1.527 0.059 0 CA-C-O 120.79 0.328 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.45 172.16 35.37 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 177.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.472 HG21 ' HA ' ' A' ' 43' ' ' ASP . 96.0 m -129.88 136.41 49.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.787 0.327 . . . . 0.0 111.154 176.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 83.7 mt -89.42 124.98 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.175 -174.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 57.9 p -100.52 -21.42 15.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 177.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 84.8 m -139.3 132.15 29.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.166 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 17.3 t90 -142.49 118.55 10.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -114.8 88.87 2.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.891 177.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -62.18 -39.28 92.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -176.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -66.35 -24.88 66.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -178.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -99.26 -15.38 18.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.8 23.54 76.34 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.529 -175.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.9 m-30 -110.83 142.96 42.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.871 0.367 . . . . 0.0 110.901 -175.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.415 ' HA3' ' CZ ' ' A' ' 29' ' ' PHE . . . -143.13 156.5 26.51 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.495 172.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -129.38 144.75 51.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.826 0.346 . . . . 0.0 110.88 175.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 93.7 mt -129.48 135.43 61.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 -177.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -98.9 125.66 44.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 169.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -84.93 165.07 17.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.884 -169.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -55.22 -23.88 24.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 167.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -86.58 -12.98 47.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 176.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.79 4.37 63.59 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.485 174.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -80.9 139.12 36.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.774 0.321 . . . . 0.0 110.887 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -90.72 117.29 29.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 177.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 81.5 mtt85 -115.13 139.13 50.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -176.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -103.6 135.32 45.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.936 178.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.653 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 29.8 p90 -138.53 161.38 37.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.85 -176.392 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 71.2 m80 -106.29 145.59 31.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.795 174.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.5 m -63.32 -21.35 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.8 pt -74.01 -16.5 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.151 177.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -95.89 17.11 15.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 175.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.418 ' HA ' ' HB ' ' A' ' 62' ' ' VAL . 53.2 t -111.99 139.39 36.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.194 -179.027 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.47 -42.87 82.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.119 -177.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -137.56 84.46 22.88 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.582 0.706 . . . . 0.0 110.899 174.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -66.28 -15.28 47.64 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.725 2.283 . . . . 0.0 112.323 -175.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -69.58 -26.29 64.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 177.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 95.9 mt -98.24 0.15 45.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -171.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 89.6 mt -54.32 134.28 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 174.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.543 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 99.2 mttt -134.78 156.47 48.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 175.056 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -60.04 -80.73 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.472 ' HA ' HG21 ' A' ' 6' ' ' THR . 99.5 m-20 -77.88 -25.06 48.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.989 -176.381 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.58 14.46 20.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.104 -169.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 41' ' ' LYS . . . -62.34 158.92 16.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 -169.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.504 HG22 ' HA ' ' A' ' 64' ' ' VAL . 19.0 m -100.11 -140.11 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.193 -176.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 58.9 p -115.56 158.33 22.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 -156.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 47.0 p90 -151.64 164.42 36.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.862 -172.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -102.88 128.66 27.33 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.661 0.743 . . . . 0.0 110.935 169.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -68.55 137.01 38.07 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.648 2.232 . . . . 0.0 112.37 -177.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 71.9 p -141.88 163.35 33.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.151 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 92.3 m -133.29 135.18 44.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.208 -173.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 -127.59 163.96 23.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.91 175.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -69.03 -14.5 63.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 174.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -93.98 -6.46 45.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 179.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 138.04 178.98 16.59 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.49 178.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.7 mt -76.41 139.28 40.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.808 0.337 . . . . 0.0 110.96 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 93.1 p -142.2 169.17 18.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -172.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.653 ' HB1' ' HB3' ' A' ' 29' ' ' PHE . . . -127.72 144.57 51.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.06 -177.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -142.07 155.45 45.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -175.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 59.45 61.07 2.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.117 177.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.418 ' HB ' ' HA ' ' A' ' 34' ' ' VAL . 96.2 t -82.38 127.84 39.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.18 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -126.58 129.48 48.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -168.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.504 ' HA ' HG22 ' A' ' 46' ' ' VAL . 84.5 t -89.09 122.28 40.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.194 178.486 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 84.0 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 121.6 0.714 . . . . 0.0 111.131 177.281 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 . . . . . 0 CA--C 1.526 0.049 0 CA-C-O 120.848 0.356 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.73 176.3 34.07 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.438 177.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.4 m -129.18 131.73 47.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.83 0.347 . . . . 0.0 111.124 -177.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 85.5 mt -99.12 125.0 52.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.185 170.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 79.4 p -90.85 -27.28 18.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 -175.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.3 t -150.34 141.29 22.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.12 176.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.508 ' HE1' HG12 ' A' ' 31' ' ' VAL . 38.9 t90 -149.88 124.97 10.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 177.42 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -114.85 106.63 14.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 177.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.45 -40.03 95.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -77.95 -34.86 50.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.832 -173.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -93.54 -27.32 16.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -173.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.2 29.62 53.06 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.52 -179.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -113.93 132.39 55.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.892 0.377 . . . . 0.0 110.9 172.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -156.87 157.96 28.42 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.448 176.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -119.61 149.94 41.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.887 0.375 . . . . 0.0 110.9 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.2 mt -126.31 132.16 70.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.187 174.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -104.96 120.62 41.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.921 172.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -88.49 169.02 12.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 -171.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.52 -22.43 66.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.83 172.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -84.44 -10.57 57.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 177.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.13 1.65 64.79 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.525 177.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -69.88 140.88 53.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.739 0.304 . . . . 0.0 110.892 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -106.78 110.05 22.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 176.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 84.0 mtt85 -109.25 143.03 39.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.816 -174.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -100.42 132.48 45.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.929 168.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 1.016 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 34.6 p90 -132.57 160.04 37.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.845 -175.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -107.36 148.34 29.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 172.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.508 HG12 ' HE1' ' A' ' 10' ' ' TRP . 28.5 m -59.9 -23.17 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.201 177.048 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.1 pt -77.0 -18.36 14.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.102 177.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -94.16 6.78 47.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 177.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 57.7 t -104.47 139.24 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.13 179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.23 -42.04 72.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -134.66 79.71 52.38 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.585 0.707 . . . . 0.0 110.882 175.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.38 -18.75 55.49 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.694 2.263 . . . . 0.0 112.352 -178.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -69.8 -27.9 65.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 175.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.2 mt -96.19 -5.95 39.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -174.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.9 mm -60.22 128.04 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.161 177.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.64 ' H ' ' HB3' ' A' ' 45' ' ' ALA . 74.5 mmtt -129.2 175.38 8.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.828 176.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -67.45 -82.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 174.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -86.79 -21.48 26.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.956 -176.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -86.49 -15.0 41.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.136 -166.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.64 ' HB3' ' H ' ' A' ' 41' ' ' LYS . . . -75.87 166.07 24.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 174.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.3 m -125.06 166.07 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.096 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.4 t -80.04 -168.56 1.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -156.91 178.24 10.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -157.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -54.97 137.37 65.95 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.658 0.742 . . . . 0.0 110.827 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -69.28 146.55 63.57 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.622 2.215 . . . . 0.0 112.374 -172.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.9 t -158.57 154.75 27.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 178.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.3 t -154.31 152.26 30.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.094 -178.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -138.61 151.86 47.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 178.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -74.92 -20.0 59.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.949 -176.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -87.15 -8.07 57.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.872 178.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 138.18 166.41 10.67 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.54 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.4 mt -72.37 129.76 39.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.836 0.351 . . . . 0.0 110.921 -176.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 91.8 p -151.27 162.04 41.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 178.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 1.016 ' HB1' ' HB3' ' A' ' 29' ' ' PHE . . . -119.98 134.94 55.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.145 -166.657 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -139.93 155.58 47.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.903 179.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 52.27 53.21 12.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.119 177.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 99.0 t -78.64 131.67 33.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 -175.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -117.41 125.78 51.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -174.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 73.0 t -98.5 125.44 51.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.17 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 99.7 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 121.626 0.727 . . . . 0.0 111.177 -177.851 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.811 0.338 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -145.21 175.27 24.88 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.475 177.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 97.1 m -132.08 137.07 47.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.861 0.363 . . . . 0.0 111.166 177.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.478 HG12 HG12 ' A' ' 19' ' ' ILE . 91.8 mt -89.95 124.73 42.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 170.119 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.7 p -90.79 -37.13 13.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 -173.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.3 p -140.86 148.09 39.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.146 174.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 38.2 t90 -150.11 124.85 9.78 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -119.78 107.64 13.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.832 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -63.86 -47.01 82.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.921 -178.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -73.66 -32.14 63.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 -171.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -97.5 -22.72 16.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 -174.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.38 36.18 45.39 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 176.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -113.84 130.18 56.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.964 0.412 . . . . 0.0 110.861 173.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -140.13 149.19 20.69 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 173.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -133.12 139.76 47.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.826 0.346 . . . . 0.0 110.823 -178.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.478 HG12 HG12 ' A' ' 7' ' ' ILE . 85.0 mt -125.72 137.7 56.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.213 -174.249 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -100.11 122.12 42.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 171.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -88.34 165.7 14.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 -171.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -58.3 -22.03 51.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 171.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -82.25 -13.17 57.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 176.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.22 4.8 62.59 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.518 174.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -86.09 140.51 30.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.804 0.335 . . . . 0.0 110.862 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 -96.94 111.47 23.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 175.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 66.1 mtt85 -120.31 146.15 46.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 -171.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -99.49 139.49 35.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 -175.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.841 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 26.1 p90 -133.68 159.11 41.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.349 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.455 ' HB3' HG12 ' A' ' 32' ' ' ILE . 93.2 m-70 -103.77 144.78 31.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.787 173.072 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.9 m -58.45 -23.76 23.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.168 176.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.455 HG12 ' HB3' ' A' ' 30' ' ' HIS . 42.4 pt -79.42 -17.14 13.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 177.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -94.73 12.52 27.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 178.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 61.4 t -100.12 134.44 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 175.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.02 -44.03 64.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.048 -178.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -130.88 81.17 67.93 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.634 0.73 . . . . 0.0 110.892 176.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -67.06 -17.92 51.29 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.727 2.285 . . . . 0.0 112.336 -178.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -70.86 -30.57 66.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 176.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 91.7 mt -92.44 -8.54 44.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -175.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.4 mm -58.42 127.67 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.144 177.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.587 ' HB2' ' HB1' ' A' ' 44' ' ' ALA . 99.2 mttt -138.24 155.53 48.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 171.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -42.57 -73.49 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.952 -175.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -95.09 -23.61 17.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.957 -174.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.587 ' HB1' ' HB2' ' A' ' 41' ' ' LYS . . . -83.91 -21.97 31.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.069 -162.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.55 ' HB3' ' H ' ' A' ' 41' ' ' LYS . . . -71.58 169.51 15.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.09 170.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 32.6 m -126.48 168.82 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 -175.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.4 t -73.14 -166.6 0.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.115 -174.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -148.14 175.8 10.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -144.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -74.55 118.28 68.75 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.731 0.777 . . . . 0.0 110.907 176.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -55.81 137.13 77.65 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.726 2.284 . . . . 0.0 112.358 -177.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.457 HG22 ' HB3' ' A' ' 60' ' ' TYR . 45.6 p -140.83 157.99 44.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 172.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.0 t -146.04 139.72 26.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.129 176.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -126.37 168.12 14.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 178.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -73.34 -18.18 61.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.949 173.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -91.64 -12.31 34.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.831 178.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 143.71 -179.36 21.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.531 176.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.3 mt -79.04 139.92 38.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.781 0.324 . . . . 0.0 110.966 178.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 88.0 p -137.72 172.67 12.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.856 -177.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.841 ' HB1' ' HB3' ' A' ' 29' ' ' PHE . . . -122.75 140.62 52.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.042 178.276 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.457 ' HB3' HG22 ' A' ' 51' ' ' THR . 86.2 t80 -151.23 153.39 34.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.946 -175.02 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.44 54.88 7.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 -179.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 86.3 t -74.44 123.72 30.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 -177.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -123.14 129.95 52.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -173.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 71.9 t -98.96 125.61 52.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 78.4 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 121.58 0.705 . . . . 0.0 111.124 -179.362 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 . . . . . 0 N--CA 1.457 -0.118 0 CA-C-O 120.884 0.373 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -124.36 175.1 17.04 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.497 176.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 95.1 m -128.4 130.81 48.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.791 0.329 . . . . 0.0 111.228 176.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 95.7 mt -92.2 124.62 44.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.12 175.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.6 p -91.25 -28.73 17.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.158 -176.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.7 t -150.69 143.6 24.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.19 176.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 63.8 t90 -146.91 123.98 11.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -114.37 110.27 19.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -63.88 -46.14 86.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 177.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -75.32 -31.55 60.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -172.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -96.91 -25.39 15.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.825 -171.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.87 31.04 58.59 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.494 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -113.23 135.25 54.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.896 0.379 . . . . 0.0 110.932 173.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -149.24 151.38 23.52 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.472 175.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 16.6 m-30 -115.87 149.24 38.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.824 0.345 . . . . 0.0 110.916 176.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.6 mt -129.34 129.84 67.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.225 171.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -96.82 120.83 37.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.946 172.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -80.98 167.06 20.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.812 -173.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.11 -15.55 62.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 172.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -85.7 -11.4 53.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 174.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.96 6.11 59.35 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.48 173.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -86.58 133.2 33.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.771 0.32 . . . . 0.0 110.929 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 -95.47 111.98 23.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 176.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 70.4 mtt85 -119.19 148.22 43.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.892 -172.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -94.28 136.15 34.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.971 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.968 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 17.8 p90 -132.96 160.67 36.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -178.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 76.3 m80 -105.39 143.76 33.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.792 174.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.2 m -59.73 -23.65 26.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.204 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 45.2 pt -76.66 -15.65 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.109 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -96.97 18.23 15.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -177.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 57.3 t -108.5 136.39 44.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.173 176.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.64 -48.02 50.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.065 -177.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -135.05 79.89 49.5 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.559 0.695 . . . . 0.0 110.898 176.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -67.71 -16.97 47.49 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.658 2.238 . . . . 0.0 112.343 -178.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -68.51 -29.02 67.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 175.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.3 mt -93.86 -10.14 34.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 -178.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 40.2 mm -73.96 131.61 34.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 178.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.605 ' HB2' ' HB1' ' A' ' 44' ' ' ALA . 99.4 mttt -128.44 164.79 21.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.824 173.726 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -49.88 -69.97 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.985 -175.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -82.26 -28.78 31.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -176.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.605 ' HB1' ' HB2' ' A' ' 41' ' ' LYS . . . -92.12 13.32 19.28 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.079 -170.64 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.01 162.88 8.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.112 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.489 HG22 ' HA ' ' A' ' 64' ' ' VAL . 35.0 m -116.54 172.31 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 -176.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.0 t -83.19 -177.08 6.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 -177.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.436 ' HB3' HG23 ' A' ' 62' ' ' VAL . 45.4 p90 -152.55 166.78 30.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 -164.014 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.412 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 88.5 tt0 -67.49 128.54 93.62 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.729 0.776 . . . . 0.0 110.844 176.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -66.65 141.58 60.86 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.659 2.239 . . . . 0.0 112.363 -173.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.0 t -159.67 157.57 29.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.8 t -149.02 140.3 23.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 -179.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -120.63 160.63 22.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.907 177.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -72.63 -19.59 61.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 175.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -89.2 -12.04 42.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 178.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 148.69 170.65 16.7 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.453 176.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.7 mt -78.79 141.83 37.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.84 0.352 . . . . 0.0 110.978 178.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 88.5 p -142.42 170.62 15.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.899 -174.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.968 ' HB1' ' HB3' ' A' ' 29' ' ' PHE . . . -119.47 139.85 51.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.072 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -147.95 143.58 27.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -173.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.412 ' HB1' ' HB3' ' A' ' 49' ' ' GLU . . . 55.16 63.44 2.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 178.471 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.436 HG23 ' HB3' ' A' ' 48' ' ' PHE . 89.0 t -71.73 119.69 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.121 174.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -113.8 118.93 35.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -166.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.489 ' HA ' HG22 ' A' ' 46' ' ' VAL . 85.0 t -92.84 125.16 45.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.117 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-O 121.563 0.697 . . . . 0.0 111.095 -179.362 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.873 0.368 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.42 176.88 34.48 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 178.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 93.2 m -130.36 131.62 45.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.784 0.325 . . . . 0.0 111.188 -179.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 88.6 mt -98.8 124.14 51.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.15 168.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.1 p -98.72 -24.75 14.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 -175.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 93.8 m -142.21 130.06 21.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.163 177.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 36.9 t90 -146.39 122.17 10.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 174.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -111.58 104.86 13.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 178.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -62.88 -40.59 98.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -178.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -76.04 -32.97 59.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 -174.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -98.06 -24.03 15.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -171.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.7 29.33 59.62 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.483 -177.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -109.98 120.57 42.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.893 0.378 . . . . 0.0 110.899 173.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -142.8 154.04 25.03 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.446 178.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -131.44 147.37 52.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.842 0.353 . . . . 0.0 110.848 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 91.3 mt -125.99 134.34 66.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.142 -179.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -103.02 121.78 43.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.939 172.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -89.16 168.77 12.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 -171.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.45 -22.4 66.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.82 172.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -83.63 -10.91 57.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.823 177.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.25 0.28 67.93 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.458 177.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -72.91 142.65 47.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.75 0.309 . . . . 0.0 110.874 178.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 72.5 m-80 -107.5 118.83 37.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.869 175.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.41 ' HB3' ' HB3' ' A' ' 59' ' ' ALA . 83.4 mtt85 -114.4 140.62 48.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.812 -175.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -99.49 133.08 44.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 171.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 1.108 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 38.0 p90 -134.75 161.7 34.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -175.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -108.14 150.14 27.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 172.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.7 m -59.12 -23.35 24.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.091 178.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.7 pt -76.88 -18.37 14.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.173 177.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -93.69 8.02 42.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 177.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 53.5 t -104.06 137.07 34.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.18 179.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.47 -41.07 73.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.043 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -134.6 80.66 50.06 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.628 0.728 . . . . 0.0 110.898 175.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.46 -18.31 54.54 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.666 2.244 . . . . 0.0 112.398 -178.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -69.81 -28.02 65.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.961 175.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 93.6 mt -94.99 -5.42 44.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.976 -174.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 22.5 mm -59.96 125.34 15.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.179 177.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.644 ' H ' ' HB3' ' A' ' 45' ' ' ALA . 74.5 mmtt -130.2 174.11 10.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 176.588 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -69.51 -83.71 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 175.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -85.2 -21.51 29.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.94 -176.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -85.67 -17.98 34.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.021 -166.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.644 ' HB3' ' H ' ' A' ' 41' ' ' LYS . . . -76.67 165.79 24.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 175.466 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.4 m -125.05 170.25 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.133 178.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.8 t -80.02 -168.86 1.78 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.161 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -156.87 178.48 10.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -156.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -53.96 134.54 57.82 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.698 0.761 . . . . 0.0 110.946 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -69.92 148.73 64.7 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.619 2.213 . . . . 0.0 112.349 -172.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.8 t -159.26 155.08 26.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.099 179.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.2 t -152.93 151.94 30.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.093 -178.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -144.64 149.33 35.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -75.19 -20.35 59.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 -175.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -86.81 -10.21 54.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 140.85 165.44 10.31 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.434 177.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.5 mt -72.65 129.85 39.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.846 0.355 . . . . 0.0 110.923 -176.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 92.4 p -148.59 160.25 43.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.882 177.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 1.108 ' HB1' ' HB3' ' A' ' 29' ' ' PHE . . . -119.32 136.59 54.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.064 -167.08 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -139.82 155.23 47.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 51.73 53.06 13.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.09 177.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 94.9 t -76.62 125.32 36.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.164 -175.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -117.24 127.67 54.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 -173.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 66.3 t -100.88 127.37 54.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 179.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 89.5 t . . . . . 0 C--N 1.33 -0.259 0 CA-C-O 121.545 0.688 . . . . 0.0 111.135 -177.609 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 . . . . . 0 N--CA 1.458 -0.053 0 CA-C-O 120.829 0.347 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -122.41 173.07 15.88 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.45 175.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.0 m -126.77 129.95 49.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.821 0.343 . . . . 0.0 111.186 174.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 90.2 mt -93.74 124.67 46.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.138 177.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.0 p -90.97 -26.94 19.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.165 -178.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.4 t -150.48 142.32 23.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.201 176.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 32.9 t90 -148.29 124.69 10.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.831 -178.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -120.01 107.57 13.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.834 178.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.75 -42.01 95.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 176.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -75.28 -31.73 60.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 -173.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -98.44 -24.25 15.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.967 -173.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.14 30.59 58.73 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.509 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -113.07 132.8 55.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.961 0.41 . . . . 0.0 110.945 172.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -149.75 151.98 23.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.423 175.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 16.0 m-30 -116.95 149.39 40.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.869 0.366 . . . . 0.0 110.838 176.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.9 mt -129.67 131.44 66.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.204 172.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -99.98 121.65 41.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 172.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -85.65 167.45 15.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -172.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -64.76 -19.65 65.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 172.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -82.78 -12.87 57.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.867 174.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.16 6.6 57.72 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.453 171.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -85.89 132.79 34.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.743 0.306 . . . . 0.0 110.904 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -95.1 110.93 22.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 174.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 69.9 mtt85 -116.53 146.12 42.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.879 -171.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -96.07 136.01 37.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 1.021 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 22.7 p90 -135.67 161.43 35.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.882 -178.403 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -105.08 144.78 31.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.802 174.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.2 m -59.85 -24.18 28.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.218 177.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 45.0 pt -76.61 -15.32 14.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 178.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -96.55 17.16 16.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 57.3 t -108.91 138.58 35.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 177.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.89 -47.57 58.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 -178.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -134.49 81.03 49.75 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.613 0.72 . . . . 0.0 110.959 175.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -67.01 -17.48 51.28 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.703 2.268 . . . . 0.0 112.359 -178.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -68.9 -28.24 66.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 176.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.7 mt -95.15 -9.91 32.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.913 -176.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 37.0 mm -71.12 128.23 34.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 178.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.55 ' HB2' ' HB1' ' A' ' 44' ' ' ALA . 74.5 mmtt -121.8 168.76 11.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 173.336 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -54.01 -69.86 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -82.87 -30.98 28.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -174.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.55 ' HB1' ' HB2' ' A' ' 41' ' ' LYS . . . -91.96 17.33 9.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 -171.193 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 41' ' ' LYS . . . -64.77 163.32 14.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.068 -178.695 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.443 HG22 ' HA ' ' A' ' 64' ' ' VAL . 34.5 m -116.39 169.46 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 -173.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.8 t -85.82 -176.47 6.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.09 -175.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.416 ' HB3' HG23 ' A' ' 62' ' ' VAL . 37.0 p90 -154.92 168.65 26.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -164.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -72.0 135.84 82.58 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.635 0.731 . . . . 0.0 110.931 176.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -67.22 139.13 49.23 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 -174.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.4 t -159.67 155.34 25.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.167 178.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.8 t -147.98 142.34 26.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.148 -176.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 -120.6 163.72 17.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.843 176.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -75.06 -18.67 60.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.948 174.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -90.2 -10.74 43.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 178.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 148.37 171.37 17.19 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.438 178.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.2 mt -77.89 141.19 39.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 0.0 110.994 178.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 88.2 p -140.33 169.6 17.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -174.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 1.021 ' HB1' ' HB3' ' A' ' 29' ' ' PHE . . . -121.8 139.81 53.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.074 -179.334 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -149.26 146.72 27.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 -174.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 56.12 60.39 3.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.142 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.416 HG23 ' HB3' ' A' ' 48' ' ' PHE . 84.3 t -73.84 120.36 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.179 176.214 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -114.21 121.02 42.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -167.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.443 ' HA ' HG22 ' A' ' 46' ' ' VAL . 88.3 t -92.83 123.3 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.158 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 88.1 t . . . . . 0 C--N 1.33 -0.241 0 CA-C-O 121.574 0.702 . . . . 0.0 111.181 178.951 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 25.4 p30 . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.82 0.343 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.83 174.71 30.07 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.459 178.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 96.4 m -130.96 130.68 43.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.803 0.335 . . . . 0.0 111.168 -178.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 97.1 mt -93.23 128.77 44.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.181 172.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.0 p -89.32 -47.8 7.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.146 -176.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 71.3 p -136.13 147.34 47.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.158 172.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 66.3 t90 -151.31 123.52 8.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -118.42 106.91 13.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.84 -177.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -62.73 -50.33 71.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.953 -175.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -70.33 -28.33 65.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.822 -172.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -97.28 -17.94 19.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -175.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.11 42.22 29.77 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.514 174.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -120.61 143.62 48.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.896 0.379 . . . . 0.0 110.96 175.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -149.63 147.48 17.83 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.426 167.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -132.49 142.11 49.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.843 0.354 . . . . 0.0 110.892 -177.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 95.5 mt -124.19 136.68 59.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.258 -175.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -102.17 120.77 41.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 176.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -85.36 168.25 14.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 -173.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.61 -20.16 63.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 172.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -83.85 -12.89 54.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.801 175.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.12 4.82 62.74 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 173.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -81.2 136.92 35.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.776 0.322 . . . . 0.0 110.896 179.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -97.67 111.42 23.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 176.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 71.7 mtt85 -115.73 145.17 43.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.817 -172.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -94.26 138.89 31.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 178.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.595 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 41.5 p90 -132.27 160.74 35.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.891 -178.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.487 ' HB3' HG12 ' A' ' 32' ' ' ILE . 80.0 m80 -106.69 142.13 36.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 172.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.6 m -64.4 -22.0 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.093 178.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.487 HG12 ' HB3' ' A' ' 30' ' ' HIS . 46.0 pt -75.78 -17.22 15.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 177.593 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -93.82 17.8 11.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.998 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.523 ' HA ' ' HB ' ' A' ' 62' ' ' VAL . 71.6 t -111.46 136.82 46.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.159 -178.142 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.9 -45.32 74.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.072 -177.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.406 ' HB2' HG22 ' A' ' 64' ' ' VAL . 69.0 m-80 -138.65 82.43 21.7 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.637 0.732 . . . . 0.0 110.931 175.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.58 -14.46 44.94 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.743 2.295 . . . . 0.0 112.337 -177.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -70.54 -28.88 65.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.918 177.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.6 mt -95.66 -6.42 40.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.961 -173.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 38.2 mm -62.66 135.37 27.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 177.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.558 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 99.4 mttt -128.0 155.04 44.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 175.225 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -51.9 -72.75 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -174.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -84.98 -29.32 25.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.86 -176.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.58 22.86 4.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.115 -172.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 41' ' ' LYS . . . -65.37 170.17 5.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.079 -171.541 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.423 HG22 ' HA ' ' A' ' 64' ' ' VAL . 35.9 m -106.43 -155.06 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 -173.71 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.0 t -113.72 163.22 15.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.166 -156.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -152.66 165.75 34.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.861 -168.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -98.52 127.51 35.75 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.692 0.758 . . . . 0.0 110.892 169.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -69.1 133.88 27.93 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.637 2.225 . . . . 0.0 112.36 -177.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 81.8 p -140.2 160.92 38.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.187 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.9 m -132.67 135.34 45.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.109 -174.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -127.28 169.57 13.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.877 176.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -69.47 -14.81 63.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 174.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -94.68 -7.33 41.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 135.56 -174.91 21.06 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.469 178.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.9 mt -79.59 141.38 36.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.81 0.338 . . . . 0.0 110.976 -179.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 87.9 p -144.42 170.16 16.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -172.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.595 ' HB1' ' HB3' ' A' ' 29' ' ' PHE . . . -124.17 143.18 50.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.022 -176.541 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -141.87 153.98 44.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -176.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 57.51 59.35 3.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.204 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.523 ' HB ' ' HA ' ' A' ' 34' ' ' VAL . 91.0 t -78.81 124.7 37.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.127 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -120.2 128.23 53.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.874 -171.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.423 ' HA ' HG22 ' A' ' 46' ' ' VAL . 91.9 t -89.04 122.38 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.208 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 97.3 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 121.655 0.74 . . . . 0.0 111.132 176.405 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 . . . . . 0 N--CA 1.46 0.072 0 CA-C-O 120.937 0.399 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -160.05 -167.91 21.28 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.495 -176.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.7 t -147.0 136.99 23.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.773 0.32 . . . . 0.0 111.153 176.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 89.5 mt -82.91 126.15 40.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.104 174.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.7 p -92.2 -29.93 16.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.194 -169.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.3 t -159.59 147.75 17.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 178.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 43.9 p90 -139.85 125.32 19.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.957 176.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -109.24 101.72 10.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.837 -176.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -63.64 -35.63 81.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -177.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -68.08 -31.17 70.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.814 -176.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -100.34 -18.83 16.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -177.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.05 14.6 78.78 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.445 -177.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -112.62 155.43 24.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.941 0.4 . . . . 0.0 110.863 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -150.27 168.66 30.24 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.47 171.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.435 ' CE2' ' HB3' ' A' ' 28' ' ' TYR . 94.5 m-85 -129.59 139.96 51.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.847 0.355 . . . . 0.0 110.844 -178.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.8 tt -134.39 139.54 47.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.06 -172.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -94.02 124.88 38.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 178.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -79.78 160.11 26.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 -175.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 50.8 tt0 -55.71 -23.18 27.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 167.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -85.29 -9.43 57.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 178.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.86 3.68 65.82 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.56 175.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -83.92 149.91 26.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.912 0.387 . . . . 0.0 110.874 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 -100.27 115.39 29.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 175.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 67.5 mtt85 -120.32 144.9 47.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -177.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.435 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 32.1 p90 -106.84 152.18 24.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 -177.155 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -146.83 158.53 43.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.931 -179.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 66.6 t-80 -110.97 147.34 34.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 171.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.8 t -51.12 -40.3 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.103 -179.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 85.8 mt -68.72 -28.24 39.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.059 178.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -84.89 1.65 46.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.99 -176.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.654 HG13 ' HB ' ' A' ' 62' ' ' VAL . 95.5 t -107.82 135.44 46.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.144 -179.305 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.1 -42.24 76.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.052 -177.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.447 HD21 ' HA ' ' A' ' 36' ' ' ASN . 9.5 m120 -78.27 154.29 79.53 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.603 0.716 . . . . 0.0 110.842 175.073 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.413 ' O ' HG12 ' A' ' 40' ' ' ILE . 43.8 Cg_endo -70.69 169.01 21.13 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.743 2.295 . . . . 0.0 112.358 -175.216 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 49.1 p30 -70.57 9.66 0.61 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 -177.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.407 ' H ' ' C ' ' A' ' 37' ' ' PRO . 95.5 mt -82.41 -2.64 53.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 174.501 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.532 HD12 HG11 ' A' ' 34' ' ' VAL . 33.4 pt -91.85 14.42 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 -179.602 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.89 ' O ' ' HD2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -80.03 98.43 7.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -178.2 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -171.26 165.3 7.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.954 -173.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -74.77 -30.98 61.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.828 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.91 -6.12 55.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 -173.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.38 154.93 36.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.084 177.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.0 m -119.57 172.52 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.221 -173.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.2 t -100.24 -163.34 1.02 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.091 -172.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -165.87 172.54 11.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 -156.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -55.25 129.96 68.49 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.644 0.735 . . . . 0.0 110.886 178.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -76.34 153.67 35.76 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.64 2.226 . . . . 0.0 112.359 -172.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 59.0 p -136.42 156.92 47.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 174.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 85.4 m -133.36 130.99 39.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.196 -175.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 26.5 p30 -133.88 -178.53 5.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 173.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -73.51 -16.85 61.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -174.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -92.8 -7.23 47.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -177.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 135.02 -173.01 21.79 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.455 178.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.0 mt -79.71 138.86 37.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.863 0.363 . . . . 0.0 110.809 178.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 98.8 p -144.58 172.25 13.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.847 -169.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -132.28 135.41 46.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.151 177.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -125.79 154.77 42.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.012 177.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.02 45.53 27.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.072 174.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.654 ' HB ' HG13 ' A' ' 34' ' ' VAL . 97.0 t -73.25 124.95 31.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.119 -170.231 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -115.69 131.8 56.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -176.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 93.7 t -108.57 133.29 54.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.127 -177.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.8 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 121.627 0.727 . . . . 0.0 111.158 -171.884 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.897 0.38 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -161.51 -166.63 20.62 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.426 176.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.2 t -146.93 139.71 25.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.801 0.334 . . . . 0.0 111.105 174.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 95.1 mt -83.85 125.01 40.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.069 176.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 80.7 p -93.88 -29.84 15.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 -170.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.1 t -157.63 154.87 29.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 176.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 32.8 t-105 -139.87 125.12 18.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -176.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -112.12 85.66 2.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.8 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -62.1 -36.55 82.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -177.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -65.69 -26.16 67.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -102.58 -13.48 17.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.93 23.1 77.14 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.476 -178.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -116.0 154.37 29.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.892 0.377 . . . . 0.0 110.864 -177.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -143.76 157.36 27.02 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.461 166.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.501 ' CE2' ' HB3' ' A' ' 28' ' ' TYR . 73.1 m-85 -123.61 136.94 54.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.871 0.367 . . . . 0.0 110.87 -178.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.9 tt -133.46 138.17 51.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 -171.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -96.47 124.9 40.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -178.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -85.09 152.29 23.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.976 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -69.6 -7.29 37.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.838 171.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -83.18 -10.94 58.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 171.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.16 1.03 59.61 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.456 172.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -97.66 141.57 30.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.891 0.377 . . . . 0.0 110.833 178.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -97.3 126.91 42.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.949 175.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 75.9 mtt85 -124.39 144.49 50.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -175.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.501 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 43.5 p90 -110.52 152.03 26.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 -178.635 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -148.35 156.56 42.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.9 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 66.0 t-80 -108.03 147.18 31.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 176.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 66.9 t -53.15 -38.29 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.161 -179.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 90.0 mt -73.21 -28.99 26.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.101 178.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -88.72 5.43 43.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 -171.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.9 m -124.27 156.78 31.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.55 -42.54 52.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.078 -174.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.47 ' HB3' HG21 ' A' ' 40' ' ' ILE . 1.0 OUTLIER -85.92 150.26 52.5 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.582 0.706 . . . . 0.0 110.865 -179.55 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.402 ' O ' HG12 ' A' ' 40' ' ' ILE . 55.4 Cg_endo -76.0 177.85 8.21 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.752 2.302 . . . . 0.0 112.327 -170.512 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 53.3 p30 -70.05 7.96 0.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.956 -177.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.2 mt -80.05 -3.98 50.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.947 173.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.47 HG21 ' HB3' ' A' ' 36' ' ' ASN . 36.8 pt -89.55 12.59 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 -179.18 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.809 ' O ' ' HD2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -80.02 98.68 7.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -170.5 165.02 8.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 -177.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -73.06 -33.05 65.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -178.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -84.68 -0.15 52.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 -173.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.15 157.64 21.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.222 178.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.5 m -115.98 166.69 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.116 -171.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.0 t -101.54 -164.08 1.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 -175.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -163.72 171.56 15.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.952 -159.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -53.67 128.95 54.21 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.637 0.732 . . . . 0.0 110.893 177.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -77.3 154.7 32.31 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.654 2.236 . . . . 0.0 112.392 -171.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 64.7 p -136.47 159.69 41.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.122 175.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.0 m -134.98 130.15 35.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.167 -176.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 27.9 p30 -130.73 -174.32 3.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 175.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -74.8 -14.58 60.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.834 -175.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -93.82 -5.0 49.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 126.12 -164.87 19.54 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.463 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 94.4 mt -78.12 139.69 39.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.871 0.367 . . . . 0.0 110.846 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 89.5 p -146.88 173.62 12.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -172.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -132.76 136.36 46.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -128.04 155.61 44.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 177.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.0 45.64 25.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 174.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 93.5 t -79.31 127.74 38.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.199 -175.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -130.11 144.17 51.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.846 -178.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 98.7 t -96.21 129.94 45.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 -178.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 22.3 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.671 0.748 . . . . 0.0 111.143 -174.248 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 29.7 m120 . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.828 0.346 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.734 ' HA3' HD12 ' A' ' 19' ' ' ILE . . . -121.08 162.38 14.83 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.558 -178.443 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 93.8 m -120.43 140.52 51.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.744 0.307 . . . . 0.0 111.079 172.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.44 HD12 ' HB2' ' A' ' 10' ' ' TRP . 18.7 tt -74.62 134.06 30.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.216 -178.197 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.437 HG23 HG21 ' A' ' 9' ' ' THR . 91.6 m -102.82 -55.14 2.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.08 164.043 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.437 HG21 HG23 ' A' ' 8' ' ' THR . 72.7 p -139.63 152.9 47.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.128 171.458 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.44 ' HB2' HD12 ' A' ' 7' ' ' ILE . 17.3 t90 -127.92 120.56 27.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 173.298 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -110.64 82.39 1.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 177.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.76 -42.05 97.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.962 -173.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -69.4 -23.68 63.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.802 -176.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -96.97 -18.43 19.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.929 -179.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.99 33.64 54.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.532 -177.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -136.55 159.65 41.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.812 0.339 . . . . 0.0 110.841 178.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -157.09 168.94 34.12 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.508 170.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -114.95 136.64 52.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.766 0.317 . . . . 0.0 110.88 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.734 HD12 ' HA3' ' A' ' 5' ' ' GLY . 7.3 tp -124.54 135.67 63.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 -171.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -97.67 122.82 41.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 172.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 22' ' ' GLU . 57.0 t0 -78.05 146.91 35.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.946 179.004 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.441 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 94.3 mt-10 -57.27 -21.66 36.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 171.378 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 73.8 m-80 -80.88 -7.2 59.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.954 176.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.19 -0.11 68.51 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.463 177.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -86.88 130.23 34.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.798 0.332 . . . . 0.0 110.857 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 73.4 m-80 -94.18 128.93 40.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 178.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 96.2 mtm-85 -134.06 160.03 38.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.817 -174.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -95.63 134.29 38.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 177.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.414 ' HD1' ' HA ' ' A' ' 29' ' ' PHE . 2.0 m-30 -109.96 134.35 52.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.877 176.454 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -105.35 143.26 33.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 176.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.6 p -57.27 -25.4 23.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.18 177.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.9 mt -76.66 -31.6 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 175.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -94.46 9.82 36.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.971 -168.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.8 m -108.02 148.22 12.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.089 175.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.2 -34.97 78.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.125 -177.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.436 ' HB3' ' HB2' ' A' ' 39' ' ' LEU . 98.6 m-20 -107.88 85.39 2.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.631 0.729 . . . . 0.0 110.912 174.53 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -68.64 -60.69 0.08 OUTLIER 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.655 2.237 . . . . 0.0 112.347 178.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -66.79 -30.77 71.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 -177.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.436 ' HB2' ' HB3' ' A' ' 36' ' ' ASN . 91.3 mt -97.32 15.75 22.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 18.8 tt -56.01 132.7 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 176.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -138.54 176.37 8.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.929 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -39.82 130.32 1.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 172.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -74.25 3.84 6.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.817 -174.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.12 -5.31 17.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.113 177.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -148.33 81.98 1.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 171.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.0 m -140.54 160.02 24.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.155 177.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.2 t -140.41 144.9 36.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 169.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -154.87 170.01 22.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -167.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -110.67 134.03 21.02 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.611 0.72 . . . . 0.0 110.826 179.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.73 140.44 39.02 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.69 2.26 . . . . 0.0 112.347 -178.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.404 ' HG1' ' HD2' ' A' ' 60' ' ' TYR . 70.8 p -140.95 162.55 35.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 178.379 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.2 m -127.43 129.58 47.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.157 -178.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -120.68 99.99 6.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 175.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 59.98 -120.04 0.93 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -173.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -96.58 4.59 51.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 177.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -106.08 137.35 13.77 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.454 -177.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 99.4 mt -84.26 141.66 30.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.837 0.351 . . . . 0.0 110.866 177.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 78.4 p -147.4 175.73 10.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 176.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -148.46 142.64 26.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.13 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.404 ' HD2' ' HG1' ' A' ' 51' ' ' THR . 96.9 m-85 -140.05 175.88 9.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.991 -178.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 59.71 54.13 4.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.079 -172.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 52.8 t -91.89 105.43 16.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.133 -175.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -105.18 136.57 44.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -177.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 94.5 t -85.32 125.76 40.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.099 177.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 29.1 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 121.614 0.721 . . . . 0.0 111.09 -170.033 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 17.0 p30 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.89 0.376 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -172.33 -163.45 26.21 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.48 -175.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.0 t -130.35 141.56 50.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 0.0 111.138 -179.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 87.8 mt -83.37 124.96 40.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.142 -172.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 78.4 p -103.49 -28.9 11.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.226 -178.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 89.4 m -148.45 125.0 11.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.229 174.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -99.19 135.47 40.54 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.87 -175.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.627 ' CD2' ' O ' ' A' ' 11' ' ' PHE . 45.5 p90 -80.03 80.71 6.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.977 178.724 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -69.06 -68.83 0.37 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -178.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -100.21 -33.47 10.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 -174.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -90.4 -23.09 21.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -158.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.73 23.64 66.66 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.541 -175.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.445 ' C ' ' HB3' ' A' ' 11' ' ' PHE . 87.0 m-85 -128.71 116.2 19.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.863 0.363 . . . . 0.0 110.825 171.661 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -133.95 174.23 20.93 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 175.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -135.55 144.03 46.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.788 0.328 . . . . 0.0 110.871 -176.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.5 tp -130.33 136.53 58.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.181 -179.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -100.07 119.97 39.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 176.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 48.8 p30 -94.54 -178.82 4.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 -170.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -64.28 -20.2 65.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -90.13 -9.47 48.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -176.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.58 7.27 65.11 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.396 177.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -90.07 168.21 12.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.83 0.347 . . . . 0.0 110.863 -178.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -115.02 116.35 28.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 178.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 68.2 mtt85 -113.66 155.01 26.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -178.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -82.38 138.23 34.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.996 -172.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.41 ' HD1' ' HA ' ' A' ' 29' ' ' PHE . 2.6 m-30 -109.17 132.49 54.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 169.49 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -134.46 144.41 48.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.818 175.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.6 p -56.91 -28.98 29.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.076 -177.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.43 HG13 ' HG3' ' A' ' 33' ' ' LYS . 47.9 pt -77.79 -18.45 13.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.129 179.176 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.457 ' HB3' ' HA ' ' A' ' 60' ' ' TYR . 97.3 mttt -105.32 -4.17 21.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.329 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.49 HG23 ' HB ' ' A' ' 62' ' ' VAL . 86.1 t -106.51 123.38 61.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 177.493 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.81 -40.32 63.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 -171.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -85.06 155.64 60.71 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.646 0.736 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_exo -54.61 140.28 75.9 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.759 2.306 . . . . 0.0 112.362 -170.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 58.4 p30 -65.68 -5.29 8.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.842 174.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 98.4 mt -85.52 -8.78 58.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.955 175.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.3 mm -108.84 112.46 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.109 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.497 ' O ' ' HB2' ' A' ' 42' ' ' LYS . 65.6 pttt -130.64 154.1 48.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.972 179.535 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.497 ' HB2' ' O ' ' A' ' 41' ' ' LYS . 84.4 tttt 173.72 109.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.917 178.251 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 57.2 p-10 -74.55 -7.32 52.72 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.837 -174.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.451 ' HB1' ' HE2' ' A' ' 42' ' ' LYS . . . -80.83 -7.22 59.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.054 -176.753 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -166.93 125.76 1.4 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.042 176.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.0 p -162.54 145.0 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.095 169.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 58.4 m -132.03 140.62 48.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.102 178.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -154.75 168.14 27.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -171.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -107.8 127.4 27.78 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.651 0.738 . . . . 0.0 110.915 172.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -81.55 158.71 19.34 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.665 2.244 . . . . 0.0 112.294 -173.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.1 p -135.58 170.79 15.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 171.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.4 m -140.88 122.43 15.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 169.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.435 ' HB2' ' O ' ' A' ' 56' ' ' GLY . 57.3 m-80 -120.29 162.89 18.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -176.581 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -67.48 -26.85 66.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 175.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -96.14 -10.28 28.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.435 ' O ' ' HB2' ' A' ' 53' ' ' ASN . . . 138.36 148.44 5.33 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.474 175.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.832 ' H ' HD13 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -71.75 157.11 38.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.841 0.353 . . . . 0.0 110.888 -172.654 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 85.7 p -148.59 176.68 10.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 178.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -130.44 147.49 52.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.129 -176.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.457 ' HA ' ' HB3' ' A' ' 33' ' ' LYS . 26.0 p90 -145.09 174.08 11.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.943 179.42 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.14 49.44 17.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.082 -178.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.49 ' HB ' HG23 ' A' ' 34' ' ' VAL . 50.9 t -90.1 133.52 31.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.084 -171.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -123.44 124.93 43.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.949 175.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 97.5 t -111.69 136.51 47.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 174.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.7 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.629 0.728 . . . . 0.0 111.207 -170.471 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.3 mtt . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.796 0.331 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -135.91 85.19 2.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.149 -179.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 66.7 mtt -119.11 155.75 30.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -174.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -101.96 152.78 20.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -178.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.481 ' HA3' ' HE1' ' A' ' 48' ' ' PHE . . . -169.42 -171.19 34.82 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.466 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.9 t -140.15 148.87 42.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.77 0.319 . . . . 0.0 111.106 -176.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 94.6 mt -80.2 123.2 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 177.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.0 p -101.06 -33.5 10.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.196 -177.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.3 m -142.34 146.3 34.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 174.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 63.1 t-105 -140.07 126.61 20.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 -175.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -115.17 84.92 2.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 175.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -62.7 -26.0 68.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.91 -176.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -70.41 -30.09 66.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 177.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -102.92 -10.74 18.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -177.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.15 34.61 51.4 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.501 170.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -156.53 168.79 26.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.932 0.396 . . . . 0.0 110.841 170.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -148.85 -176.61 22.35 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 174.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -117.71 137.09 52.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.813 0.339 . . . . 0.0 110.893 -173.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 98.3 mt -134.47 139.94 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 -177.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -89.59 121.92 32.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -177.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -74.95 146.76 41.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.821 -177.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -51.57 -22.0 2.95 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 170.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 75.1 m-80 -89.43 -4.57 57.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -178.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.34 3.71 64.85 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.514 177.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -86.11 124.92 33.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.841 0.353 . . . . 0.0 110.837 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -94.05 109.61 21.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.951 178.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -138.63 163.97 30.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 -172.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -108.36 146.75 32.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -171.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -126.96 145.8 50.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.92 175.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -104.42 146.24 29.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -173.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.4 m -60.03 -25.23 32.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.085 -176.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 86.6 mt -69.72 -29.26 40.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 174.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -86.49 4.11 41.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 -176.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 98.2 t -98.53 125.89 51.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.97 -38.9 79.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 -178.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -69.45 152.16 96.5 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.625 0.726 . . . . 0.0 110.871 170.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -53.0 137.86 62.01 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.645 2.23 . . . . 0.0 112.353 -174.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 59.1 p30 -66.95 -5.32 12.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.845 176.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.2 mt -89.97 -5.29 56.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 177.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 87.8 mt -119.96 114.52 44.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 -178.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -133.77 149.7 51.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.41 ' HG3' ' H ' ' A' ' 44' ' ' ALA . 56.5 tptt -167.79 134.99 2.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 172.079 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 57.4 p-10 -87.03 0.3 55.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 -167.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.455 ' O ' ' HB3' ' A' ' 45' ' ' ALA . . . -84.49 -4.59 59.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.071 -165.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 44' ' ' ALA . . . 174.85 126.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 -176.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 92.2 t -135.63 145.62 31.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.073 171.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 89.9 m -120.95 132.02 54.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.177 168.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.481 ' HE1' ' HA3' ' A' ' 5' ' ' GLY . 51.4 p90 -155.32 166.71 32.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -166.04 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -96.85 143.94 27.0 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.606 0.717 . . . . 0.0 110.908 173.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -64.33 140.72 71.7 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.699 2.266 . . . . 0.0 112.353 178.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.7 t -160.8 178.55 9.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.13 -170.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 57.1 p -132.35 173.33 11.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 170.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 51.1 p30 -40.08 156.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 169.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 50.6 p-10 -76.91 11.58 1.7 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 -167.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -85.77 -28.28 24.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 173.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -112.33 -103.57 2.67 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.519 169.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.3 mt -73.96 149.78 41.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.806 0.336 . . . . 0.0 110.918 -170.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 97.5 p -104.47 162.99 12.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 178.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -130.5 145.64 51.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.096 -178.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -159.46 166.62 30.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 177.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.46 53.99 9.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.092 179.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 95.3 t -88.04 140.12 16.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.159 172.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -125.45 123.31 38.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -174.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 92.7 t -106.11 133.47 50.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.185 175.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.447 ' HB ' ' HB1' ' A' ' 45' ' ' ALA . 88.3 t -75.41 124.84 89.25 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.644 0.735 . . . . 0.0 111.176 -169.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -77.24 168.7 22.64 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.733 2.289 . . . . 0.0 112.328 -175.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 95.1 mt -105.9 35.43 2.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.922 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 54.67 40.76 32.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 -176.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -167.93 140.01 3.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 -178.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 56.8 p-80 -159.36 165.53 33.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.814 179.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -130.18 146.01 51.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 175.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -99.31 133.6 43.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -132.03 165.43 24.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.833 -176.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 65.9 t-80 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.801 179.731 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.5 mmm . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.751 0.31 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.79 85.61 1.77 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.102 178.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 62.8 mtt -112.92 153.79 27.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.848 -172.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -103.96 149.75 24.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 -174.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -160.03 -177.55 33.22 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.506 -178.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.8 t -136.44 149.1 48.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.751 0.31 . . . . 0.0 111.126 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.428 HG13 HG22 ' A' ' 46' ' ' VAL . 94.1 mt -80.98 121.11 33.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.075 178.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.7 m -100.37 -37.91 8.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.128 -176.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 89.9 m -138.84 140.15 38.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.183 -177.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 40.9 t-105 -142.06 126.74 18.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.978 -175.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -117.62 89.14 3.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.861 170.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -62.43 -25.34 67.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.89 -176.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -69.55 -28.88 66.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -103.21 -13.49 16.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.91 -178.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.42 32.68 68.08 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.496 -174.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.438 ' CZ ' ' HB3' ' A' ' 28' ' ' TYR . 86.7 t80 -143.01 135.11 27.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.928 0.394 . . . . 0.0 110.895 -167.149 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -151.5 -178.78 26.6 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.5 -173.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -134.87 135.01 41.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.775 0.321 . . . . 0.0 110.939 -173.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 92.4 mt -129.94 136.27 59.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.16 -171.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -106.07 122.2 45.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.948 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -82.1 139.39 34.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.833 177.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.68 -13.04 52.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 176.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -94.48 7.43 45.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 177.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.6 -1.16 75.14 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.535 171.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -85.45 90.86 8.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.858 0.361 . . . . 0.0 110.911 178.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -101.66 112.73 25.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.964 -173.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.44 ' HE ' ' HA ' ' A' ' 52' ' ' THR . 88.6 mmt-85 -139.07 156.84 46.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 -163.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.438 ' HB3' ' CZ ' ' A' ' 16' ' ' PHE . 88.4 m-85 -89.99 141.08 29.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 174.122 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -134.2 150.28 51.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.888 -178.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -110.16 147.91 32.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 177.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.4 m -59.18 -25.29 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.052 -176.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.1 mt -66.87 -29.93 47.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.148 176.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -86.09 5.17 34.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -176.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.476 ' HA ' ' HB ' ' A' ' 62' ' ' VAL . 54.6 t -94.67 120.19 43.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.045 -179.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.403 ' HB3' ' HA ' ' A' ' 61' ' ' ALA . . . -69.8 -40.13 76.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.093 -178.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -68.52 156.48 90.52 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.616 0.722 . . . . 0.0 110.886 170.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -49.72 126.78 17.17 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.625 2.217 . . . . 0.0 112.369 -175.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 58.9 p30 -67.82 -4.7 13.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.817 176.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.7 mt -87.56 -5.72 58.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.825 176.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 89.2 mt -119.36 114.18 43.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.094 -178.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -129.0 142.17 51.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.861 176.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.415 ' HG3' ' H ' ' A' ' 44' ' ' ALA . 56.3 tptt -169.13 130.49 1.16 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.916 173.065 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 56.3 p30 -81.06 4.37 20.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.86 -171.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.514 ' O ' ' HB3' ' A' ' 45' ' ' ALA . . . -81.11 -4.89 56.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.104 -170.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 44' ' ' ALA . . . 173.95 125.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.169 178.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.428 HG22 HG13 ' A' ' 7' ' ' ILE . 53.6 t -135.08 144.96 32.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.069 170.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.1 m -127.59 137.25 52.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.151 169.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 42.5 p90 -161.34 171.81 17.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -173.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -91.0 146.74 34.28 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.598 0.713 . . . . 0.0 110.917 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -63.12 141.66 83.97 Favored 'Trans proline' 0 N--CA 1.464 -0.227 0 C-N-CA 122.692 2.262 . . . . 0.0 112.433 174.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.6 t -164.01 173.02 13.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.179 -167.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.44 ' HA ' ' HE ' ' A' ' 27' ' ' ARG . 61.6 p -133.78 169.21 17.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.169 167.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -40.26 150.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.883 172.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 50.5 p-10 -76.4 14.18 0.81 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -166.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -79.6 -30.57 41.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 170.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -110.89 -88.76 1.88 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.543 164.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.406 ' HB2' ' H ' ' A' ' 52' ' ' THR . 98.5 mt -78.96 154.0 29.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.752 0.31 . . . . 0.0 110.906 -172.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 92.7 p -98.04 161.6 13.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 174.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -124.64 136.8 54.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.059 -179.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 53.5 p90 -161.91 168.43 22.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -176.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.403 ' HA ' ' HB3' ' A' ' 35' ' ' ALA . . . 54.99 54.43 8.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.117 176.166 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.476 ' HB ' ' HA ' ' A' ' 34' ' ' VAL . 94.9 t -88.62 138.53 19.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 169.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -127.35 119.26 25.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.969 -175.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 89.3 t -107.31 134.44 49.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 177.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 76.9 t -79.37 125.91 82.19 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.651 0.738 . . . . 0.0 111.201 -169.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -77.11 175.28 11.57 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.699 2.266 . . . . 0.0 112.37 -174.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 96.2 mt -115.57 34.2 5.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 178.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 53.69 38.23 27.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.944 -175.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -164.71 138.85 5.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.807 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -157.76 166.96 31.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 178.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -129.96 148.84 51.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.834 176.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -103.91 140.69 37.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 178.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -131.57 165.66 23.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.784 -177.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 65.9 t-80 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.83 179.736 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.7 mmm . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.813 0.339 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.19 91.9 2.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.123 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 62.1 mtt -105.98 145.95 30.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.861 -172.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -109.72 153.8 23.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.838 -176.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.69 -178.36 36.46 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.0 t -128.37 142.22 51.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.707 0.289 . . . . 0.0 111.101 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.442 HG13 HG22 ' A' ' 46' ' ' VAL . 97.2 mt -77.97 124.64 36.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 177.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 92.6 m -93.6 -39.19 10.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.182 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.448 HG23 ' HB3' ' A' ' 18' ' ' PHE . 11.2 t -149.67 148.84 29.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.178 178.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 52.4 t-105 -139.99 128.64 23.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.915 -172.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -118.86 90.1 3.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 176.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -65.19 -24.5 67.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.9 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -73.79 -30.51 62.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.911 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -100.47 -14.14 18.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.95 38.4 64.56 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.556 -176.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -152.21 142.83 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.964 0.411 . . . . 0.0 110.857 -166.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -159.26 -179.79 34.32 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.443 -177.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.448 ' HB3' HG23 ' A' ' 9' ' ' THR . 50.3 t80 -132.42 134.54 45.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 110.919 -172.541 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.424 HD11 HG11 ' A' ' 46' ' ' VAL . 98.7 mt -130.34 140.11 49.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.18 -172.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -104.86 124.08 48.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 178.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -79.71 137.25 36.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.816 -178.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -58.45 -17.21 18.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 173.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 75.1 m-80 -82.58 -2.2 53.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 177.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.47 -2.21 70.36 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.51 174.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -88.36 124.52 34.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.81 0.338 . . . . 0.0 110.87 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -99.54 122.94 43.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.958 -178.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -138.62 148.8 44.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 -169.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -98.81 142.17 30.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 173.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -131.54 145.42 51.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.842 -175.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -111.65 144.88 40.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.836 177.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 32.4 m -60.23 -22.39 24.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 -172.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 71.6 mt -62.9 -31.07 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -90.56 6.94 41.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 -178.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 54.7 t -100.3 122.4 52.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.13 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.58 -38.83 81.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.078 -176.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -73.63 154.88 89.49 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.646 0.736 . . . . 0.0 110.934 172.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.532 ' HB2' HG12 ' A' ' 40' ' ' ILE . 93.1 Cg_exo -54.07 138.6 70.95 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.694 2.263 . . . . 0.0 112.355 -171.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 60.0 p30 -60.82 -8.41 3.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 176.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.6 mt -85.16 -2.98 58.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 178.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.532 HG12 ' HB2' ' A' ' 37' ' ' PRO . 49.3 mm -105.27 112.65 39.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 -174.069 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -126.16 139.35 53.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 171.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.414 ' HD3' HD11 ' A' ' 67' ' ' LEU . 56.1 tptt -166.53 135.22 2.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 174.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 57.0 p-10 -91.01 -3.04 57.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.907 -166.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.44 ' O ' ' HB3' ' A' ' 45' ' ' ALA . . . -87.68 -3.91 58.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 -166.174 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.476 ' HB1' HG22 ' A' ' 65' ' ' VAL . . . 174.41 126.01 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.077 -174.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.442 HG22 HG13 ' A' ' 7' ' ' ILE . 86.4 t -137.9 145.49 28.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 164.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 89.7 m -122.74 139.35 54.07 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 171.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 39.7 p90 -157.8 169.56 24.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.804 -172.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -93.19 151.74 40.67 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.597 0.713 . . . . 0.0 110.877 176.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -62.37 138.08 69.15 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.698 2.265 . . . . 0.0 112.356 175.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.498 HG22 ' HB3' ' A' ' 59' ' ' ALA . 14.9 t -160.01 171.55 19.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.085 -170.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 33.8 p -134.84 176.08 8.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.198 164.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -37.87 153.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 167.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 50.6 p-10 -75.19 15.18 0.45 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.976 -163.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -90.44 -27.02 19.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.916 173.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -114.2 -104.82 2.6 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.421 172.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.6 mt -76.68 155.04 33.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 0.0 110.884 -168.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 92.7 p -110.24 157.38 19.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.498 ' HB3' HG22 ' A' ' 51' ' ' THR . . . -119.68 144.93 46.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.049 -179.319 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 54.6 p90 -154.88 164.11 39.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.941 -176.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.5 49.82 17.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.036 175.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 89.2 t -86.12 137.84 20.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 173.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -129.61 122.58 29.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -173.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 78.7 t -111.35 137.32 44.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 174.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.476 HG22 ' HB1' ' A' ' 45' ' ' ALA . 74.9 t -71.27 124.4 90.92 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.686 0.755 . . . . 0.0 111.178 -169.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -77.68 172.91 14.95 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.737 2.292 . . . . 0.0 112.294 -175.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.414 HD11 ' HD3' ' A' ' 42' ' ' LYS . 95.0 mt -124.74 32.65 5.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.967 -178.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 52.9 44.17 30.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 -176.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -158.18 138.84 12.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -177.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -158.16 171.75 19.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.815 178.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -130.3 148.51 52.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 177.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -107.3 142.36 37.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.819 178.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -131.88 163.34 28.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -177.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 65.9 t-80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.82 179.709 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.5 mmm . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.742 0.306 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -154.6 139.51 17.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.06 176.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 24.5 mmt -134.4 155.91 49.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 -109.14 157.16 19.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.928 178.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -173.15 -165.78 30.59 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.45 178.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 88.5 m -130.56 134.43 47.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.814 0.34 . . . . 0.0 111.075 175.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.6 mt -77.55 128.39 38.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.069 178.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.6 p -92.03 -26.48 18.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 -171.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 89.4 m -133.42 131.07 39.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.211 -177.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 18.1 t90 -88.82 114.11 25.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.889 177.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.445 ' HB3' ' O ' ' A' ' 16' ' ' PHE . 14.6 p90 -89.03 79.39 7.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.831 -179.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -75.55 -62.67 1.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.921 -176.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -95.83 -27.36 15.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -174.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -93.2 -31.95 14.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -163.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.57 19.82 78.93 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.454 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.445 ' O ' ' HB3' ' A' ' 11' ' ' PHE . 18.8 m-30 -109.66 109.27 19.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.908 0.385 . . . . 0.0 110.893 175.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -115.32 143.97 18.28 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.541 -171.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -128.37 138.2 52.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.908 0.385 . . . . 0.0 110.833 176.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.0 tt -129.98 139.44 51.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.187 -176.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.7 tptt -99.08 121.12 40.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.974 175.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -81.06 151.38 28.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.848 -170.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -60.28 -14.64 19.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.91 165.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -87.27 -13.26 44.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 173.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.81 2.29 59.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.497 171.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -92.34 147.11 23.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 110.897 176.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -94.66 128.56 41.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.788 173.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.7 mtt85 -119.05 142.34 47.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.805 -177.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -114.09 132.35 56.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -177.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -148.92 176.66 10.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.991 -172.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 67.7 m80 -124.9 158.47 33.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -172.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.409 ' O ' HG23 ' A' ' 34' ' ' VAL . 12.5 p -56.91 -25.18 21.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.125 176.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 45.9 pt -80.79 -14.26 12.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 -178.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -99.47 -5.43 29.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -171.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 31' ' ' VAL . 35.7 m -103.14 146.71 10.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.147 -172.464 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.77 -48.02 34.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.186 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -90.42 138.79 26.78 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-O 121.615 0.721 . . . . 0.0 110.864 173.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -75.97 165.38 29.98 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.609 2.206 . . . . 0.0 112.34 -167.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 53.0 p-10 -61.4 -14.58 29.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.899 175.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.0 mt -84.9 -27.98 26.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.94 -179.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 77.6 mt -110.06 86.76 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 177.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -127.21 150.5 49.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 175.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -157.94 142.51 16.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.872 177.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -84.5 -15.57 45.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.839 -160.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -84.24 2.19 41.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.197 -168.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -171.35 125.95 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.08 -176.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 89.4 t -140.69 135.9 34.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 164.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.6 t -138.67 147.85 43.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.147 172.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 53.9 p90 -150.52 167.49 27.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -168.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -101.71 127.82 30.38 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.605 0.717 . . . . 0.0 110.846 167.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -73.32 138.63 27.78 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.601 2.201 . . . . 0.0 112.306 -174.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.448 HG22 ' CD2' ' A' ' 60' ' ' TYR . 54.2 p -144.45 172.99 12.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.179 178.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.2 t -145.25 138.17 26.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.157 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 64.4 m-80 -120.83 163.3 18.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 171.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -67.32 -22.14 65.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 175.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -94.91 -4.66 46.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 145.19 165.95 11.48 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.433 176.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 88.5 mt -75.57 139.82 42.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.831 0.348 . . . . 0.0 110.891 -177.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 75.5 m -129.21 162.43 27.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -178.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -128.53 122.1 30.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.158 178.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.448 ' CD2' HG22 ' A' ' 51' ' ' THR . 21.5 m-30 -113.67 164.17 14.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 -172.517 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.01 54.29 9.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.106 176.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 95.6 t -83.37 132.65 30.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.196 -176.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -133.84 135.98 44.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 -170.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 93.0 t -97.99 125.02 51.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 175.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 85.8 t -99.27 118.99 61.57 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.594 0.712 . . . . 0.0 111.133 -171.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -76.7 160.04 34.8 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.598 2.199 . . . . 0.0 112.373 177.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 69.4 tp -66.45 -59.86 3.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 177.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -97.15 154.56 17.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 175.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 33.9 p80 -82.93 174.45 10.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 178.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 -68.5 121.14 15.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.841 177.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -97.23 143.04 28.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -115.9 145.02 43.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.939 -176.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -134.03 144.97 49.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.924 -177.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.852 -177.188 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.2 mmm . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.762 0.315 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.87 139.94 22.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.12 177.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 90.2 mmm -130.59 153.32 49.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.802 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -120.24 149.67 41.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 173.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -160.03 -176.43 32.1 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.485 179.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 96.2 m -119.69 136.51 54.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.722 0.296 . . . . 0.0 111.085 176.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.5 mm -80.73 124.72 38.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.097 -177.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 96.9 m -84.77 -40.82 16.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.109 -175.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 92.8 m -135.11 133.53 39.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.189 -174.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 21.7 t90 -84.18 125.37 32.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 176.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.636 ' HB3' ' O ' ' A' ' 16' ' ' PHE . 17.8 p90 -89.24 80.0 6.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -72.4 -64.02 1.03 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 -178.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -98.29 -29.45 13.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.801 -172.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -92.23 -26.86 17.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.975 -162.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.63 18.85 80.03 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.467 -178.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.636 ' O ' ' HB3' ' A' ' 11' ' ' PHE . 21.0 m-85 -115.86 127.83 55.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.946 0.403 . . . . 0.0 110.866 178.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -130.52 153.48 20.22 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.5 -175.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -127.76 143.37 51.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 0.0 110.831 175.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.6 tt -134.17 137.43 51.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.206 -178.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -102.36 122.59 44.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 173.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -81.55 154.73 26.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.824 -167.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -61.01 -15.31 30.48 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 170.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -85.03 -13.57 50.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.921 174.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.06 3.47 60.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.507 175.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -89.9 148.38 23.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.885 0.374 . . . . 0.0 110.857 177.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -96.61 128.97 44.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 175.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.45 ' HG2' ' HB3' ' A' ' 57' ' ' LEU . 44.3 mtt85 -119.97 142.63 48.59 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.829 -179.274 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -112.93 128.38 56.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.95 175.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -137.61 170.11 16.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.954 -174.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 52.7 m80 -119.99 157.69 28.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -174.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.0 p -51.25 -29.84 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.089 177.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 47.6 pt -75.15 -17.9 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 -178.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.1 mttp -95.21 4.63 53.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 39.0 t -108.33 128.28 63.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.09 -178.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.05 -40.46 78.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 -177.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.406 HD21 ' HB ' ' A' ' 64' ' ' VAL . 99.3 m-20 -83.82 147.75 52.53 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.536 0.684 . . . . 0.0 110.957 172.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -70.57 163.47 38.8 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.599 2.199 . . . . 0.0 112.389 -176.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 52.1 p-10 -60.5 -14.92 22.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 176.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.5 mt -83.86 -19.98 33.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 77.3 mt -113.93 92.76 2.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.1 177.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -140.5 134.71 31.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 173.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -162.76 152.22 15.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -172.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 57.4 p30 -83.45 6.63 19.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.851 -173.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.18 -14.35 59.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.134 -170.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.433 ' HB1' ' H ' ' A' ' 65' ' ' VAL . . . -176.44 138.06 0.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.072 176.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 63.7 t -138.86 133.27 41.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.119 170.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.7 t -148.18 149.38 31.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 167.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -154.31 168.8 25.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -177.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -94.73 139.56 22.27 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.667 0.746 . . . . 0.0 110.856 176.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -67.02 122.84 10.21 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.684 2.256 . . . . 0.0 112.306 -176.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 36.7 p -143.48 166.04 25.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.105 177.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 10.1 t -157.85 145.19 18.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.104 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -115.61 162.74 16.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 175.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -68.27 -22.03 64.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 175.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -94.2 -4.2 49.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 147.27 159.76 8.51 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.5 179.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.45 ' HB3' ' HG2' ' A' ' 27' ' ' ARG . 11.2 mp -75.27 139.33 42.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.816 0.341 . . . . 0.0 110.923 -176.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 53.0 m -130.94 164.04 26.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.808 -176.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -113.33 134.7 54.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.181 176.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -129.64 147.17 51.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.975 -172.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 57.62 52.91 7.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.105 -176.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 88.5 t -80.23 129.78 37.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 -177.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -133.86 130.95 38.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -172.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.406 ' HB ' HD21 ' A' ' 36' ' ' ASN . 93.8 t -98.26 123.35 50.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.162 166.095 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.433 ' H ' ' HB1' ' A' ' 45' ' ' ALA . 83.9 t -97.4 119.57 62.65 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.628 0.728 . . . . 0.0 111.179 -168.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -77.15 165.15 28.45 Favored 'Trans proline' 0 C--O 1.233 0.261 0 C-N-CA 122.581 2.188 . . . . 0.0 112.441 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 69.4 tp -66.91 -59.17 3.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.964 178.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -102.39 156.23 17.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.964 176.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 34.0 p80 -80.65 173.71 12.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.805 178.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 66.0 t-80 -67.32 126.27 28.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.823 177.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -102.73 145.1 30.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.768 -178.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -117.72 144.67 45.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 -176.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -132.08 153.53 50.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.849 -178.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.83 -178.51 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.6 ttm . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.731 0.3 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.94 133.4 16.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 174.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 53.8 tpp -131.62 140.12 49.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 -176.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -108.2 150.44 27.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -176.71 -172.56 41.47 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.562 -178.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.3 p -128.43 147.74 50.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.824 0.345 . . . . 0.0 111.121 -178.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.1 mt -81.92 123.61 38.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.071 172.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.6 m -82.04 -39.33 23.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.033 175.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.1 t -147.52 141.41 25.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.174 177.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 18.2 t90 -129.6 124.87 34.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.951 -175.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -117.71 84.52 2.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 177.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -62.29 -38.56 89.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -177.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -70.13 -26.44 63.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -177.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -97.03 -13.65 22.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.9 31.72 61.81 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.464 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -135.33 142.95 45.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.967 0.413 . . . . 0.0 110.896 -174.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.408 ' HA3' ' CE1' ' A' ' 29' ' ' PHE . . . -142.1 162.22 27.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.466 176.069 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.504 ' CE2' ' HB3' ' A' ' 26' ' ' ASN . 45.7 t80 -139.35 132.98 30.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.889 0.375 . . . . 0.0 110.86 -178.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 43.4 pt -129.74 149.09 33.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.159 -162.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -108.28 131.27 54.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 169.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -76.13 156.31 33.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.809 -173.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -56.99 -17.37 9.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.78 163.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 -90.82 -7.03 53.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.834 175.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.18 -0.57 72.26 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.447 176.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -84.15 136.8 33.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.849 0.357 . . . . 0.0 110.873 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.504 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 72.6 m-80 -99.02 130.42 45.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.6 ptp85 -148.35 163.27 37.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 54.6 p90 -106.43 156.56 18.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.91 -174.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.412 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 31.2 p90 -139.72 162.34 35.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 172.314 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -119.76 147.62 44.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -178.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.6 p -57.96 -24.57 23.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.152 -179.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 49.3 pt -72.17 -18.89 19.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -97.48 14.44 26.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 58.7 t -101.85 127.45 55.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.1 -42.17 80.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 -175.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 -128.84 82.31 68.97 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.76 0.79 . . . . 0.0 110.943 177.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.74 -15.67 37.28 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.633 2.222 . . . . 0.0 112.358 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -74.86 -35.92 62.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 169.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 92.8 mt -100.09 -0.93 38.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.95 -175.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 18.8 tt -50.61 136.08 9.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.141 175.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -128.39 160.77 31.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.989 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.417 ' C ' ' N ' ' A' ' 44' ' ' ALA . 99.2 mttt -64.85 -176.46 0.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.781 171.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 57.6 p-10 -50.93 -12.65 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -178.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.417 ' N ' ' C ' ' A' ' 42' ' ' LYS . . . -53.34 -25.68 16.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 174.537 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -166.86 116.58 0.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.042 164.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 65.7 t -140.8 135.72 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 173.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.2 m -135.16 144.34 46.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.097 158.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 55.5 p90 -148.29 168.2 23.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -169.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -112.98 134.11 21.86 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.683 0.754 . . . . 0.0 110.815 172.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -78.32 148.64 24.06 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.664 2.243 . . . . 0.0 112.367 -174.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.1 t -155.11 163.02 40.83 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 175.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 85.4 m -131.8 129.58 40.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.081 -173.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.512 ' O ' ' HB2' ' A' ' 54' ' ' ASN . 60.0 t-20 -142.91 101.26 3.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 178.291 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.512 ' HB2' ' O ' ' A' ' 53' ' ' ASN . 71.9 m-20 74.96 -154.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -171.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -82.65 9.52 9.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -114.83 130.66 9.33 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.488 177.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 98.0 mt -80.69 145.02 31.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.756 0.313 . . . . 0.0 110.939 176.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.0 t -135.85 166.41 23.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 178.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.412 ' HB1' ' HB3' ' A' ' 29' ' ' PHE . . . -130.73 146.45 52.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.09 177.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -144.45 174.59 10.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.879 -176.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.45 54.27 8.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.055 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 93.0 t -79.02 131.38 34.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 -173.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -138.19 137.31 37.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -172.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 94.8 t -106.14 132.59 52.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.101 177.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.2 m -61.9 152.84 75.31 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.628 0.728 . . . . 0.0 111.111 -178.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -54.26 119.36 6.22 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.665 2.243 . . . . 0.0 112.332 178.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 92.5 mt -115.45 25.16 11.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 175.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -85.44 106.31 16.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -169.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 56.5 p-80 -75.46 -11.33 60.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.801 178.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -77.5 145.82 36.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.792 178.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -125.26 144.97 50.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -129.87 83.0 2.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.847 -176.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -125.21 45.07 2.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 -177.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.828 178.811 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.6 ttt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.761 0.315 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.05 155.74 34.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.05 178.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 28.3 ptm -129.43 163.16 26.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 178.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -100.76 152.64 20.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 178.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.63 ' HA3' ' HE1' ' A' ' 48' ' ' PHE . . . -161.71 -173.8 30.81 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.623 -176.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.8 p -132.5 142.76 49.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.752 0.311 . . . . 0.0 111.193 177.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.9 mt -92.1 120.56 41.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 167.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 73.2 p -96.69 -22.82 16.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.036 -173.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 96.9 m -139.46 129.93 25.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.144 174.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -130.59 109.87 10.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.952 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -111.86 85.77 2.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 177.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.03 -39.6 90.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 -176.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -65.92 -25.63 67.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -178.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -99.83 -16.2 18.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.908 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.06 23.95 74.92 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.454 -175.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.2 m-30 -108.32 142.4 38.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.973 0.416 . . . . 0.0 110.931 -175.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.707 ' HA3' ' CZ ' ' A' ' 29' ' ' PHE . . . -141.94 157.33 26.35 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.496 169.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -134.56 139.76 45.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.839 0.352 . . . . 0.0 110.905 176.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.8 mt -126.19 139.05 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.197 -172.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -103.74 128.6 51.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.786 174.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.426 ' HB3' ' H ' ' A' ' 23' ' ' ASN . 98.1 m-20 -83.27 157.64 22.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.82 -171.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -53.22 -18.91 2.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.814 160.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.426 ' H ' ' HB3' ' A' ' 21' ' ' ASP . 95.7 m-20 -89.86 -11.32 42.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 177.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.08 1.45 65.03 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.434 170.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -89.18 143.6 26.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.871 0.367 . . . . 0.0 110.897 178.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 -97.54 131.84 43.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 176.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -132.17 147.91 52.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -176.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.471 ' O ' ' HA ' ' A' ' 58' ' ' SER . 39.5 t80 -95.16 146.39 24.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -177.032 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.707 ' CZ ' ' HA3' ' A' ' 17' ' ' GLY . 34.2 p90 -140.02 158.72 43.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 170.328 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -109.8 145.35 36.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 171.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.9 m -59.29 -23.42 24.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.177 179.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.2 mt -69.42 -26.81 32.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.145 174.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -92.94 7.06 45.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -178.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.624 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 96.9 t -100.6 135.37 36.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 -179.178 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.65 -42.09 91.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 -175.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -125.49 74.4 68.94 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.69 0.757 . . . . 0.0 110.893 176.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.624 ' HD3' ' O ' ' A' ' 34' ' ' VAL . 49.7 Cg_endo -70.28 -18.1 34.79 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 122.631 2.22 . . . . 0.0 112.369 179.106 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -73.07 -36.24 66.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.914 170.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.6 mt -97.89 -2.13 41.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -173.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 16.0 tt -63.46 137.02 25.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.198 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -138.22 169.5 17.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 -174.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -64.72 179.68 0.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.816 179.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 57.6 p30 -61.23 -2.26 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -176.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.32 -23.88 26.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.17 168.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -167.89 119.09 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.073 162.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.9 t -139.76 128.41 27.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 174.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 95.7 m -135.93 142.1 44.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.092 170.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.63 ' HE1' ' HA3' ' A' ' 5' ' ' GLY . 52.8 p90 -154.87 164.3 39.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.815 -175.229 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -92.22 143.02 26.84 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.649 0.737 . . . . 0.0 110.826 -178.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -56.47 131.39 45.43 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.685 2.257 . . . . 0.0 112.275 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.3 t -156.61 153.66 28.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 -175.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.9 t -150.49 140.88 22.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.077 174.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -138.19 79.1 1.72 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 -174.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 70.97 -154.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 173.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -78.75 -20.14 50.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -176.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -99.51 106.27 3.17 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.52 173.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.8 mt -73.95 130.21 39.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.838 0.351 . . . . 0.0 110.87 -170.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.471 ' HA ' ' O ' ' A' ' 28' ' ' TYR . 89.8 p -129.96 162.38 28.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 178.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.567 ' HB1' ' HB3' ' A' ' 29' ' ' PHE . . . -128.5 147.26 50.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.121 -177.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -135.46 156.54 48.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -176.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.87 61.16 3.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.066 171.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 95.3 t -83.83 104.55 12.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.163 -178.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -101.85 139.63 37.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.96 -176.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 86.0 t -105.41 138.75 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.143 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.2 m -100.96 154.3 37.23 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.611 0.719 . . . . 0.0 111.176 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -60.86 108.83 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.705 2.27 . . . . 0.0 112.358 -178.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 38.2 tp -77.73 -38.89 46.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.797 176.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -87.38 99.25 11.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -97.48 -7.8 30.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.813 176.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 33.9 p80 -64.63 160.69 19.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.771 176.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -138.62 148.58 44.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -133.13 75.53 1.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.808 177.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -125.98 44.98 2.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.827 -177.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.833 178.974 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.784 0.326 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.15 148.35 48.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.11 179.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 95.5 mtp -134.58 149.16 50.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -123.9 163.39 21.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.947 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.29 176.41 20.78 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.468 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.4 HG21 ' HA ' ' A' ' 43' ' ' ASP . 93.9 m -131.54 131.62 43.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.321 . . . . 0.0 111.174 175.226 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 97.1 mt -98.23 123.63 50.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 172.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.5 p -91.62 -29.71 16.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 -178.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.9 m -147.49 137.71 23.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.233 177.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 66.1 t90 -150.98 128.46 11.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.828 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -112.05 114.46 27.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 178.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.67 -48.99 78.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 178.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -74.58 -29.08 61.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -171.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -98.34 -25.12 14.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -169.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.13 33.61 49.19 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.485 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -111.07 133.26 53.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.888 0.375 . . . . 0.0 110.904 173.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -148.23 150.55 22.76 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.438 176.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -128.69 151.13 49.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.807 0.336 . . . . 0.0 110.877 -179.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 92.8 mt -129.59 136.08 60.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.221 177.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -97.99 121.01 39.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 172.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -82.29 165.92 19.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.846 -172.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.88 -20.06 61.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 171.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -86.08 -11.04 53.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 176.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.57 4.76 63.7 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.465 175.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -83.07 134.84 35.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.738 0.304 . . . . 0.0 110.864 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 -91.78 116.14 28.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 176.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.472 ' HG2' ' HB3' ' A' ' 57' ' ' LEU . 51.2 mtt85 -117.44 140.46 49.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 -175.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -95.11 134.92 37.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.96 177.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.527 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 34.6 p90 -129.54 164.83 22.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.843 -177.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.424 ' HB3' HG12 ' A' ' 32' ' ' ILE . 95.3 m-70 -109.25 143.42 38.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.796 173.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.2 m -62.51 -24.07 34.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.178 178.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.424 HG12 ' HB3' ' A' ' 30' ' ' HIS . 44.6 pt -75.63 -16.21 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.02 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -97.05 14.34 25.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.511 ' HA ' ' HB ' ' A' ' 62' ' ' VAL . 60.0 t -105.66 137.78 33.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 -179.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.18 -46.74 69.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.078 -177.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -138.11 82.45 24.6 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.64 0.733 . . . . 0.0 110.885 175.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.62 -14.44 44.79 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.669 2.246 . . . . 0.0 112.396 -178.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -71.24 -28.79 64.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 175.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 95.6 mt -97.4 -4.95 37.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 -172.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.4 mm -66.64 133.07 31.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 176.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.474 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 99.3 mttt -124.24 156.34 37.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.881 177.37 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -49.18 -74.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -175.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.4 ' HA ' HG21 ' A' ' 6' ' ' THR . 68.8 m-20 -85.43 -28.42 25.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.886 -174.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -93.16 21.46 5.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 -170.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 41' ' ' LYS . . . -64.5 168.12 6.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.105 -172.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.3 m -106.98 -155.28 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 -171.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.0 t -107.58 168.68 9.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.089 -156.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -153.5 166.24 33.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -173.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -92.31 126.45 52.65 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.704 0.764 . . . . 0.0 110.881 172.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -72.85 151.26 50.88 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.683 2.255 . . . . 0.0 112.343 -174.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.9 t -164.95 173.95 11.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 178.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 86.9 m -141.82 138.14 31.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -128.12 159.8 33.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.876 176.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -74.39 -15.54 60.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.98 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -92.11 -14.36 29.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.836 177.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 147.78 169.78 15.28 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.499 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.472 ' HB3' ' HG2' ' A' ' 27' ' ' ARG . 96.1 mt -74.96 131.73 40.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.776 0.322 . . . . 0.0 110.961 -179.375 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.7 m -130.14 163.52 26.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -173.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.527 ' HB1' ' HB3' ' A' ' 29' ' ' PHE . . . -133.4 132.72 41.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.012 -178.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -134.38 166.21 23.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -177.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 56.29 56.81 5.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.121 177.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.511 ' HB ' ' HA ' ' A' ' 34' ' ' VAL . 93.9 t -77.42 122.71 32.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.22 179.336 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -119.35 125.3 48.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 -168.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 87.6 t -90.05 122.56 41.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 178.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 96.4 t -92.49 128.88 42.74 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.553 0.692 . . . . 0.0 111.161 177.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -65.24 117.84 4.92 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.707 2.272 . . . . 0.0 112.323 174.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 94.9 mt -92.55 -14.33 28.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -170.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -128.3 143.64 51.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -135.45 148.69 49.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 60.8 t-80 -96.67 144.76 26.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 -155.79 164.99 37.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 178.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 64.8 t-80 -160.05 142.78 13.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.771 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 33.4 p80 -168.05 164.75 13.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.823 179.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 . . . . . 0 C--N 1.331 -0.204 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.576 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.802 0.334 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.17 138.99 52.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 73.0 mtm -128.79 155.13 45.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -119.07 147.56 44.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -137.24 178.03 19.32 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.435 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 90.8 m -134.91 131.59 37.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.842 0.354 . . . . 0.0 111.153 173.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 82.4 mt -98.6 125.0 52.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.172 170.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 80.6 p -90.56 -26.94 19.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.075 -175.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.1 t -150.07 140.71 22.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.155 176.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 40.4 t90 -149.99 124.84 9.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 177.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -114.99 107.48 15.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.923 178.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.09 -40.27 97.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 178.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -77.01 -35.24 57.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.795 -173.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -94.39 -25.61 16.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 -173.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.61 30.75 55.9 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.548 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -114.2 131.47 56.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.933 0.397 . . . . 0.0 110.909 172.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -152.26 154.64 25.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.471 176.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 19.2 m-30 -118.1 149.68 40.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.872 0.368 . . . . 0.0 110.891 177.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.7 mt -126.09 132.13 70.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.173 174.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -104.34 120.31 40.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 171.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -86.87 169.06 12.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -171.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.35 -22.26 66.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 171.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -84.47 -10.78 57.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.816 176.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.72 6.22 62.41 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.478 176.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -77.22 135.92 38.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.773 0.32 . . . . 0.0 110.78 -178.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -99.78 110.38 22.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 176.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 81.4 mtt85 -109.64 143.18 39.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.834 -176.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -99.67 131.78 45.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 169.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 1.037 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 37.1 p90 -131.49 159.18 38.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.841 -176.015 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 30.6 m80 -106.33 147.65 28.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 173.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.3 m -59.31 -23.27 24.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 177.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.9 pt -76.59 -18.28 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.157 177.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -94.54 8.02 43.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 60.3 t -104.91 140.16 23.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.095 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.24 -42.91 71.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -134.69 79.41 53.0 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.635 0.731 . . . . 0.0 110.909 175.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -65.89 -19.66 58.41 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.736 2.291 . . . . 0.0 112.316 -178.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -69.53 -28.11 65.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 176.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.8 mt -96.39 -5.71 39.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -174.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 24.1 mm -61.24 128.03 21.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.217 178.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.653 ' H ' ' HB3' ' A' ' 45' ' ' ALA . 74.7 mmtt -127.3 176.69 7.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.934 176.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -68.38 -82.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.88 173.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -84.21 -22.66 30.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.835 -175.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.98 -12.34 44.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.082 -165.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.653 ' HB3' ' H ' ' A' ' 41' ' ' LYS . . . -78.13 165.74 23.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.106 174.539 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.9 m -124.74 166.48 20.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 178.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.0 t -80.93 -168.14 1.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.166 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -157.31 178.53 10.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.856 -156.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -55.55 138.55 68.94 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.775 0.797 . . . . 0.0 110.85 -178.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -69.97 145.88 57.23 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.682 2.254 . . . . 0.0 112.376 -172.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.8 t -158.44 153.71 25.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.231 178.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.7 t -152.8 149.36 28.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.204 -178.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -135.29 152.84 51.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.92 177.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -75.62 -22.9 56.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 -177.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -85.98 -15.78 40.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 148.62 165.88 12.5 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.456 176.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.8 mt -71.89 127.96 34.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.352 . . . . 0.0 110.962 -177.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 94.7 p -147.69 162.53 38.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.839 175.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 1.037 ' HB1' ' HB3' ' A' ' 29' ' ' PHE . . . -120.2 134.57 55.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.065 -167.366 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -139.44 156.02 47.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 52.29 52.81 13.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.121 177.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.4 t -77.18 131.41 34.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.17 -175.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -117.75 125.93 51.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 -172.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 85.8 t -97.32 125.37 50.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 88.4 t -104.55 128.44 26.92 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.572 0.701 . . . . 0.0 111.115 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -64.49 123.61 12.02 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.658 2.239 . . . . 0.0 112.359 176.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 94.6 mt -99.95 -12.1 20.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -174.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -128.14 142.61 51.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -137.39 150.24 47.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -177.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -102.13 144.75 30.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 34.0 p80 -152.96 171.75 17.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 178.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 -159.91 140.03 11.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.832 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 33.5 p80 -169.18 162.81 10.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.346 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.812 0.339 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.23 144.67 55.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 90.1 mtp -131.93 160.43 35.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 -96.24 153.06 18.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.914 -178.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.45 172.16 35.37 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 177.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.472 HG21 ' HA ' ' A' ' 43' ' ' ASP . 96.0 m -129.88 136.41 49.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.787 0.327 . . . . 0.0 111.154 176.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 83.7 mt -89.42 124.98 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.175 -174.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 57.9 p -100.52 -21.42 15.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 177.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 84.8 m -139.3 132.15 29.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.166 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 17.3 t90 -142.49 118.55 10.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -114.8 88.87 2.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.891 177.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -62.18 -39.28 92.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -176.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -66.35 -24.88 66.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -178.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -99.26 -15.38 18.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.8 23.54 76.34 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.529 -175.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.9 m-30 -110.83 142.96 42.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.871 0.367 . . . . 0.0 110.901 -175.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.415 ' HA3' ' CZ ' ' A' ' 29' ' ' PHE . . . -143.13 156.5 26.51 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.495 172.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -129.38 144.75 51.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.826 0.346 . . . . 0.0 110.88 175.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 93.7 mt -129.48 135.43 61.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 -177.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -98.9 125.66 44.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 169.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -84.93 165.07 17.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.884 -169.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -55.22 -23.88 24.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 167.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -86.58 -12.98 47.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 176.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.79 4.37 63.59 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.485 174.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -80.9 139.12 36.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.774 0.321 . . . . 0.0 110.887 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -90.72 117.29 29.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 177.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 81.5 mtt85 -115.13 139.13 50.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -176.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -103.6 135.32 45.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.936 178.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.653 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 29.8 p90 -138.53 161.38 37.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.85 -176.392 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 71.2 m80 -106.29 145.59 31.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.795 174.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.5 m -63.32 -21.35 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.8 pt -74.01 -16.5 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.151 177.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -95.89 17.11 15.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 175.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.418 ' HA ' ' HB ' ' A' ' 62' ' ' VAL . 53.2 t -111.99 139.39 36.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.194 -179.027 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.47 -42.87 82.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.119 -177.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -137.56 84.46 22.88 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.582 0.706 . . . . 0.0 110.899 174.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -66.28 -15.28 47.64 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.725 2.283 . . . . 0.0 112.323 -175.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -69.58 -26.29 64.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 177.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 95.9 mt -98.24 0.15 45.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -171.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 89.6 mt -54.32 134.28 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 174.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.543 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 99.2 mttt -134.78 156.47 48.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 175.056 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -60.04 -80.73 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.472 ' HA ' HG21 ' A' ' 6' ' ' THR . 99.5 m-20 -77.88 -25.06 48.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.989 -176.381 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.58 14.46 20.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.104 -169.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 41' ' ' LYS . . . -62.34 158.92 16.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 -169.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.504 HG22 ' HA ' ' A' ' 64' ' ' VAL . 19.0 m -100.11 -140.11 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.193 -176.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 58.9 p -115.56 158.33 22.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 -156.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 47.0 p90 -151.64 164.42 36.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.862 -172.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -102.88 128.66 27.33 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.661 0.743 . . . . 0.0 110.935 169.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -68.55 137.01 38.07 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.648 2.232 . . . . 0.0 112.37 -177.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 71.9 p -141.88 163.35 33.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.151 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 92.3 m -133.29 135.18 44.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.208 -173.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 -127.59 163.96 23.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.91 175.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -69.03 -14.5 63.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 174.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -93.98 -6.46 45.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 179.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 138.04 178.98 16.59 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.49 178.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.7 mt -76.41 139.28 40.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.808 0.337 . . . . 0.0 110.96 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 93.1 p -142.2 169.17 18.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -172.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.653 ' HB1' ' HB3' ' A' ' 29' ' ' PHE . . . -127.72 144.57 51.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.06 -177.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -142.07 155.45 45.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -175.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 59.45 61.07 2.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.117 177.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.418 ' HB ' ' HA ' ' A' ' 34' ' ' VAL . 96.2 t -82.38 127.84 39.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.18 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -126.58 129.48 48.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -168.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.504 ' HA ' HG22 ' A' ' 46' ' ' VAL . 84.5 t -89.09 122.28 40.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.194 178.486 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 84.0 t -102.05 129.77 25.69 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.6 0.714 . . . . 0.0 111.131 177.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -63.62 116.27 3.55 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.705 2.27 . . . . 0.0 112.315 176.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 94.2 mt -96.01 -12.69 24.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -174.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -124.56 142.12 51.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 -179.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -136.04 148.33 48.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 -178.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 -78.66 144.25 35.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.902 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 -155.03 165.11 37.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 -160.02 143.15 13.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.821 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 57.0 p-80 -161.49 170.48 19.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.927 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 179.85 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.81 0.338 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.96 141.65 58.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.153 179.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 76.6 mtm -132.43 154.74 49.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -122.17 160.35 25.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.73 176.3 34.07 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.438 177.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.4 m -129.18 131.73 47.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.83 0.347 . . . . 0.0 111.124 -177.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 85.5 mt -99.12 125.0 52.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.185 170.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 79.4 p -90.85 -27.28 18.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 -175.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.3 t -150.34 141.29 22.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.12 176.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.508 ' HE1' HG12 ' A' ' 31' ' ' VAL . 38.9 t90 -149.88 124.97 10.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 177.42 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -114.85 106.63 14.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 177.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.45 -40.03 95.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -77.95 -34.86 50.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.832 -173.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -93.54 -27.32 16.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -173.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.2 29.62 53.06 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.52 -179.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -113.93 132.39 55.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.892 0.377 . . . . 0.0 110.9 172.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -156.87 157.96 28.42 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.448 176.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -119.61 149.94 41.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.887 0.375 . . . . 0.0 110.9 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.2 mt -126.31 132.16 70.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.187 174.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -104.96 120.62 41.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.921 172.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -88.49 169.02 12.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 -171.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.52 -22.43 66.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.83 172.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -84.44 -10.57 57.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 177.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.13 1.65 64.79 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.525 177.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -69.88 140.88 53.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.739 0.304 . . . . 0.0 110.892 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -106.78 110.05 22.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 176.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 84.0 mtt85 -109.25 143.03 39.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.816 -174.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -100.42 132.48 45.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.929 168.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 1.016 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 34.6 p90 -132.57 160.04 37.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.845 -175.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -107.36 148.34 29.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 172.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.508 HG12 ' HE1' ' A' ' 10' ' ' TRP . 28.5 m -59.9 -23.17 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.201 177.048 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.1 pt -77.0 -18.36 14.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.102 177.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -94.16 6.78 47.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 177.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 57.7 t -104.47 139.24 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.13 179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.23 -42.04 72.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -134.66 79.71 52.38 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.585 0.707 . . . . 0.0 110.882 175.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.38 -18.75 55.49 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.694 2.263 . . . . 0.0 112.352 -178.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -69.8 -27.9 65.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 175.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.2 mt -96.19 -5.95 39.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -174.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.9 mm -60.22 128.04 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.161 177.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.64 ' H ' ' HB3' ' A' ' 45' ' ' ALA . 74.5 mmtt -129.2 175.38 8.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.828 176.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -67.45 -82.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 174.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -86.79 -21.48 26.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.956 -176.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -86.49 -15.0 41.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.136 -166.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.64 ' HB3' ' H ' ' A' ' 41' ' ' LYS . . . -75.87 166.07 24.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 174.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.3 m -125.06 166.07 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.096 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.4 t -80.04 -168.56 1.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -156.91 178.24 10.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -157.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -54.97 137.37 65.95 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.658 0.742 . . . . 0.0 110.827 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -69.28 146.55 63.57 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.622 2.215 . . . . 0.0 112.374 -172.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.9 t -158.57 154.75 27.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 178.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.3 t -154.31 152.26 30.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.094 -178.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -138.61 151.86 47.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 178.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -74.92 -20.0 59.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.949 -176.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -87.15 -8.07 57.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.872 178.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 138.18 166.41 10.67 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.54 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.4 mt -72.37 129.76 39.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.836 0.351 . . . . 0.0 110.921 -176.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 91.8 p -151.27 162.04 41.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 178.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 1.016 ' HB1' ' HB3' ' A' ' 29' ' ' PHE . . . -119.98 134.94 55.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.145 -166.657 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -139.93 155.58 47.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.903 179.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 52.27 53.21 12.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.119 177.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 99.0 t -78.64 131.67 33.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 -175.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -117.41 125.78 51.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -174.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 73.0 t -98.5 125.44 51.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.17 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 99.7 t -110.32 129.08 24.33 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.626 0.727 . . . . 0.0 111.177 -177.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -65.13 137.61 52.92 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.699 2.266 . . . . 0.0 112.287 179.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 89.8 mt -107.16 -2.68 20.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -175.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -128.24 137.55 52.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -139.91 144.57 37.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -177.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -78.17 144.87 35.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.835 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 57.2 p-80 -155.06 165.0 38.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 178.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -159.96 143.72 14.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.818 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 34.5 p80 -162.82 170.8 17.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 179.45 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.9 mmm . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.81 0.338 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.53 142.15 55.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 73.5 mtm -128.79 154.09 46.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -113.79 149.88 34.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 -178.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -145.21 175.27 24.88 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.475 177.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 97.1 m -132.08 137.07 47.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.861 0.363 . . . . 0.0 111.166 177.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.478 HG12 HG12 ' A' ' 19' ' ' ILE . 91.8 mt -89.95 124.73 42.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 170.119 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.7 p -90.79 -37.13 13.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 -173.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.3 p -140.86 148.09 39.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.146 174.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 38.2 t90 -150.11 124.85 9.78 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -119.78 107.64 13.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.832 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -63.86 -47.01 82.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.921 -178.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -73.66 -32.14 63.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 -171.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -97.5 -22.72 16.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 -174.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.38 36.18 45.39 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 176.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -113.84 130.18 56.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.964 0.412 . . . . 0.0 110.861 173.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -140.13 149.19 20.69 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 173.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -133.12 139.76 47.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.826 0.346 . . . . 0.0 110.823 -178.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.478 HG12 HG12 ' A' ' 7' ' ' ILE . 85.0 mt -125.72 137.7 56.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.213 -174.249 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -100.11 122.12 42.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 171.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -88.34 165.7 14.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 -171.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -58.3 -22.03 51.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 171.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -82.25 -13.17 57.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 176.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.22 4.8 62.59 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.518 174.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -86.09 140.51 30.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.804 0.335 . . . . 0.0 110.862 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 -96.94 111.47 23.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 175.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 66.1 mtt85 -120.31 146.15 46.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 -171.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -99.49 139.49 35.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 -175.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.841 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 26.1 p90 -133.68 159.11 41.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.349 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.455 ' HB3' HG12 ' A' ' 32' ' ' ILE . 93.2 m-70 -103.77 144.78 31.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.787 173.072 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.9 m -58.45 -23.76 23.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.168 176.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.455 HG12 ' HB3' ' A' ' 30' ' ' HIS . 42.4 pt -79.42 -17.14 13.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 177.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -94.73 12.52 27.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 178.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 61.4 t -100.12 134.44 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 175.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.02 -44.03 64.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.048 -178.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -130.88 81.17 67.93 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.634 0.73 . . . . 0.0 110.892 176.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -67.06 -17.92 51.29 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.727 2.285 . . . . 0.0 112.336 -178.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -70.86 -30.57 66.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 176.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 91.7 mt -92.44 -8.54 44.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -175.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.4 mm -58.42 127.67 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.144 177.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.587 ' HB2' ' HB1' ' A' ' 44' ' ' ALA . 99.2 mttt -138.24 155.53 48.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 171.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -42.57 -73.49 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.952 -175.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -95.09 -23.61 17.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.957 -174.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.587 ' HB1' ' HB2' ' A' ' 41' ' ' LYS . . . -83.91 -21.97 31.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.069 -162.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.55 ' HB3' ' H ' ' A' ' 41' ' ' LYS . . . -71.58 169.51 15.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.09 170.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 32.6 m -126.48 168.82 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 -175.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.4 t -73.14 -166.6 0.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.115 -174.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -148.14 175.8 10.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -144.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -74.55 118.28 68.75 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.731 0.777 . . . . 0.0 110.907 176.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -55.81 137.13 77.65 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.726 2.284 . . . . 0.0 112.358 -177.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.457 HG22 ' HB3' ' A' ' 60' ' ' TYR . 45.6 p -140.83 157.99 44.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 172.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.0 t -146.04 139.72 26.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.129 176.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -126.37 168.12 14.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 178.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -73.34 -18.18 61.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.949 173.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -91.64 -12.31 34.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.831 178.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 143.71 -179.36 21.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.531 176.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.3 mt -79.04 139.92 38.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.781 0.324 . . . . 0.0 110.966 178.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 88.0 p -137.72 172.67 12.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.856 -177.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.841 ' HB1' ' HB3' ' A' ' 29' ' ' PHE . . . -122.75 140.62 52.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.042 178.276 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.457 ' HB3' HG22 ' A' ' 51' ' ' THR . 86.2 t80 -151.23 153.39 34.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.946 -175.02 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.44 54.88 7.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 -179.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 86.3 t -74.44 123.72 30.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 -177.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -123.14 129.95 52.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -173.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 71.9 t -98.96 125.61 52.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 78.4 t -100.79 130.82 24.51 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.58 0.705 . . . . 0.0 111.124 -179.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -63.9 121.47 9.18 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.69 2.26 . . . . 0.0 112.33 177.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 88.9 mt -99.52 -6.65 27.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 -176.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -126.59 141.27 51.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -138.3 149.25 45.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -178.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -101.49 144.9 29.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 33.6 p80 -153.84 171.09 19.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 178.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 65.1 t-80 -160.09 140.38 11.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 33.8 p80 -168.73 163.27 11.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.49 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 N--CA 1.458 -0.049 0 CA-C-O 120.841 0.353 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.81 139.23 48.86 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.171 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 70.8 mtm -128.5 157.34 41.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -119.9 148.21 43.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 -178.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -124.36 175.1 17.04 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.497 176.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 95.1 m -128.4 130.81 48.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.791 0.329 . . . . 0.0 111.228 176.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 95.7 mt -92.2 124.62 44.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.12 175.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.6 p -91.25 -28.73 17.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.158 -176.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.7 t -150.69 143.6 24.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.19 176.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 63.8 t90 -146.91 123.98 11.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -114.37 110.27 19.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -63.88 -46.14 86.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 177.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -75.32 -31.55 60.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -172.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -96.91 -25.39 15.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.825 -171.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.87 31.04 58.59 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.494 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -113.23 135.25 54.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.896 0.379 . . . . 0.0 110.932 173.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -149.24 151.38 23.52 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.472 175.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 16.6 m-30 -115.87 149.24 38.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.824 0.345 . . . . 0.0 110.916 176.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.6 mt -129.34 129.84 67.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.225 171.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -96.82 120.83 37.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.946 172.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -80.98 167.06 20.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.812 -173.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.11 -15.55 62.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 172.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -85.7 -11.4 53.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 174.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.96 6.11 59.35 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.48 173.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -86.58 133.2 33.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.771 0.32 . . . . 0.0 110.929 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 -95.47 111.98 23.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 176.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 70.4 mtt85 -119.19 148.22 43.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.892 -172.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -94.28 136.15 34.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.971 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.968 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 17.8 p90 -132.96 160.67 36.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -178.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 76.3 m80 -105.39 143.76 33.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.792 174.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.2 m -59.73 -23.65 26.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.204 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 45.2 pt -76.66 -15.65 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.109 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -96.97 18.23 15.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -177.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 57.3 t -108.5 136.39 44.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.173 176.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.64 -48.02 50.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.065 -177.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -135.05 79.89 49.5 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.559 0.695 . . . . 0.0 110.898 176.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -67.71 -16.97 47.49 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.658 2.238 . . . . 0.0 112.343 -178.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -68.51 -29.02 67.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 175.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.3 mt -93.86 -10.14 34.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 -178.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 40.2 mm -73.96 131.61 34.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 178.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.605 ' HB2' ' HB1' ' A' ' 44' ' ' ALA . 99.4 mttt -128.44 164.79 21.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.824 173.726 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -49.88 -69.97 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.985 -175.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -82.26 -28.78 31.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -176.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.605 ' HB1' ' HB2' ' A' ' 41' ' ' LYS . . . -92.12 13.32 19.28 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.079 -170.64 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.01 162.88 8.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.112 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.489 HG22 ' HA ' ' A' ' 64' ' ' VAL . 35.0 m -116.54 172.31 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 -176.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.0 t -83.19 -177.08 6.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 -177.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.436 ' HB3' HG23 ' A' ' 62' ' ' VAL . 45.4 p90 -152.55 166.78 30.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 -164.014 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.412 ' HB3' ' HB1' ' A' ' 61' ' ' ALA . 88.5 tt0 -67.49 128.54 93.62 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.729 0.776 . . . . 0.0 110.844 176.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -66.65 141.58 60.86 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.659 2.239 . . . . 0.0 112.363 -173.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.0 t -159.67 157.57 29.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.8 t -149.02 140.3 23.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 -179.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -120.63 160.63 22.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.907 177.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -72.63 -19.59 61.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 175.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -89.2 -12.04 42.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 178.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 148.69 170.65 16.7 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.453 176.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.7 mt -78.79 141.83 37.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.84 0.352 . . . . 0.0 110.978 178.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 88.5 p -142.42 170.62 15.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.899 -174.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.968 ' HB1' ' HB3' ' A' ' 29' ' ' PHE . . . -119.47 139.85 51.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.072 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -147.95 143.58 27.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -173.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.412 ' HB1' ' HB3' ' A' ' 49' ' ' GLU . . . 55.16 63.44 2.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 178.471 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.436 HG23 ' HB3' ' A' ' 48' ' ' PHE . 89.0 t -71.73 119.69 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.121 174.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -113.8 118.93 35.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -166.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.489 ' HA ' HG22 ' A' ' 46' ' ' VAL . 85.0 t -92.84 125.16 45.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.117 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 92.8 t -94.82 129.32 36.38 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.563 0.697 . . . . 0.0 111.095 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -65.09 120.11 7.27 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.6 2.2 . . . . 0.0 112.352 177.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 93.0 mt -98.06 -14.12 20.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -174.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -126.94 142.85 51.44 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -136.71 150.46 48.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -177.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -101.38 145.0 29.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 57.2 p-80 -155.06 165.31 37.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 178.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 64.8 t-80 -160.01 142.16 13.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 33.2 p80 -169.03 161.35 10.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.844 179.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.686 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.83 0.348 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.83 143.34 57.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.211 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 76.4 mtm -131.33 154.62 48.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -120.91 159.75 24.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.915 179.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.42 176.88 34.48 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 178.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 93.2 m -130.36 131.62 45.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.784 0.325 . . . . 0.0 111.188 -179.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 88.6 mt -98.8 124.14 51.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.15 168.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.1 p -98.72 -24.75 14.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 -175.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 93.8 m -142.21 130.06 21.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.163 177.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 36.9 t90 -146.39 122.17 10.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 174.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -111.58 104.86 13.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 178.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -62.88 -40.59 98.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -178.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -76.04 -32.97 59.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 -174.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -98.06 -24.03 15.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -171.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.7 29.33 59.62 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.483 -177.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -109.98 120.57 42.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.893 0.378 . . . . 0.0 110.899 173.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -142.8 154.04 25.03 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.446 178.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -131.44 147.37 52.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.842 0.353 . . . . 0.0 110.848 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 91.3 mt -125.99 134.34 66.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.142 -179.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -103.02 121.78 43.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.939 172.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -89.16 168.77 12.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 -171.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.45 -22.4 66.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.82 172.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -83.63 -10.91 57.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.823 177.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.25 0.28 67.93 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.458 177.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -72.91 142.65 47.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.75 0.309 . . . . 0.0 110.874 178.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 72.5 m-80 -107.5 118.83 37.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.869 175.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.41 ' HB3' ' HB3' ' A' ' 59' ' ' ALA . 83.4 mtt85 -114.4 140.62 48.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.812 -175.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -99.49 133.08 44.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 171.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 1.108 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 38.0 p90 -134.75 161.7 34.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -175.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -108.14 150.14 27.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 172.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.7 m -59.12 -23.35 24.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.091 178.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.7 pt -76.88 -18.37 14.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.173 177.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -93.69 8.02 42.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 177.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 53.5 t -104.06 137.07 34.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.18 179.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.47 -41.07 73.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.043 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -134.6 80.66 50.06 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.628 0.728 . . . . 0.0 110.898 175.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.46 -18.31 54.54 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.666 2.244 . . . . 0.0 112.398 -178.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -69.81 -28.02 65.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.961 175.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 93.6 mt -94.99 -5.42 44.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.976 -174.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 22.5 mm -59.96 125.34 15.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.179 177.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.644 ' H ' ' HB3' ' A' ' 45' ' ' ALA . 74.5 mmtt -130.2 174.11 10.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 176.588 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -69.51 -83.71 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 175.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -85.2 -21.51 29.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.94 -176.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -85.67 -17.98 34.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.021 -166.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.644 ' HB3' ' H ' ' A' ' 41' ' ' LYS . . . -76.67 165.79 24.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 175.466 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.4 m -125.05 170.25 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.133 178.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.8 t -80.02 -168.86 1.78 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.161 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -156.87 178.48 10.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -156.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -53.96 134.54 57.82 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.698 0.761 . . . . 0.0 110.946 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -69.92 148.73 64.7 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.619 2.213 . . . . 0.0 112.349 -172.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.8 t -159.26 155.08 26.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.099 179.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.2 t -152.93 151.94 30.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.093 -178.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -144.64 149.33 35.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -75.19 -20.35 59.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 -175.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -86.81 -10.21 54.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 140.85 165.44 10.31 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.434 177.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.5 mt -72.65 129.85 39.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.846 0.355 . . . . 0.0 110.923 -176.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 92.4 p -148.59 160.25 43.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.882 177.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 1.108 ' HB1' ' HB3' ' A' ' 29' ' ' PHE . . . -119.32 136.59 54.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.064 -167.08 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -139.82 155.23 47.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 51.73 53.06 13.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.09 177.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 94.9 t -76.62 125.32 36.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.164 -175.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -117.24 127.67 54.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 -173.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 66.3 t -100.88 127.37 54.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 179.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 89.5 t -106.39 129.26 24.77 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.545 0.688 . . . . 0.0 111.135 -177.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -64.94 135.13 42.9 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.677 2.251 . . . . 0.0 112.339 178.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 87.6 mt -105.83 -2.09 23.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 -174.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -127.86 136.44 51.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -139.56 145.18 38.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 -177.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 62.1 t-80 -84.31 144.3 28.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 57.2 p-80 -155.16 165.04 37.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 178.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 64.2 t-80 -160.05 143.44 13.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 34.3 p80 -164.3 170.03 16.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 179.572 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.844 0.354 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.2 142.98 49.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 56.5 ttm -134.34 140.88 46.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -125.06 153.15 43.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.847 179.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -122.41 173.07 15.88 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.45 175.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.0 m -126.77 129.95 49.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.821 0.343 . . . . 0.0 111.186 174.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 90.2 mt -93.74 124.67 46.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.138 177.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.0 p -90.97 -26.94 19.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.165 -178.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.4 t -150.48 142.32 23.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.201 176.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 32.9 t90 -148.29 124.69 10.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.831 -178.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -120.01 107.57 13.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.834 178.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.75 -42.01 95.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 176.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -75.28 -31.73 60.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 -173.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -98.44 -24.25 15.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.967 -173.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.14 30.59 58.73 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.509 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -113.07 132.8 55.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.961 0.41 . . . . 0.0 110.945 172.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -149.75 151.98 23.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.423 175.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 16.0 m-30 -116.95 149.39 40.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.869 0.366 . . . . 0.0 110.838 176.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.9 mt -129.67 131.44 66.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.204 172.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -99.98 121.65 41.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 172.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -85.65 167.45 15.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -172.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -64.76 -19.65 65.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 172.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -82.78 -12.87 57.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.867 174.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.16 6.6 57.72 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.453 171.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -85.89 132.79 34.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.743 0.306 . . . . 0.0 110.904 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -95.1 110.93 22.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 174.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 69.9 mtt85 -116.53 146.12 42.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.879 -171.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -96.07 136.01 37.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 1.021 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 22.7 p90 -135.67 161.43 35.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.882 -178.403 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -105.08 144.78 31.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.802 174.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.2 m -59.85 -24.18 28.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.218 177.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 45.0 pt -76.61 -15.32 14.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 178.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -96.55 17.16 16.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 57.3 t -108.91 138.58 35.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 177.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.89 -47.57 58.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 -178.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -134.49 81.03 49.75 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.613 0.72 . . . . 0.0 110.959 175.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -67.01 -17.48 51.28 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.703 2.268 . . . . 0.0 112.359 -178.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -68.9 -28.24 66.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 176.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.7 mt -95.15 -9.91 32.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.913 -176.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 37.0 mm -71.12 128.23 34.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 178.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.55 ' HB2' ' HB1' ' A' ' 44' ' ' ALA . 74.5 mmtt -121.8 168.76 11.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 173.336 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -54.01 -69.86 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -82.87 -30.98 28.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -174.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.55 ' HB1' ' HB2' ' A' ' 41' ' ' LYS . . . -91.96 17.33 9.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 -171.193 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 41' ' ' LYS . . . -64.77 163.32 14.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.068 -178.695 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.443 HG22 ' HA ' ' A' ' 64' ' ' VAL . 34.5 m -116.39 169.46 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 -173.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.8 t -85.82 -176.47 6.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.09 -175.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.416 ' HB3' HG23 ' A' ' 62' ' ' VAL . 37.0 p90 -154.92 168.65 26.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -164.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -72.0 135.84 82.58 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.635 0.731 . . . . 0.0 110.931 176.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -67.22 139.13 49.23 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 -174.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.4 t -159.67 155.34 25.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.167 178.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.8 t -147.98 142.34 26.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.148 -176.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 -120.6 163.72 17.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.843 176.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -75.06 -18.67 60.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.948 174.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -90.2 -10.74 43.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 178.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 148.37 171.37 17.19 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.438 178.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.2 mt -77.89 141.19 39.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 0.0 110.994 178.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 88.2 p -140.33 169.6 17.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -174.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 1.021 ' HB1' ' HB3' ' A' ' 29' ' ' PHE . . . -121.8 139.81 53.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.074 -179.334 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -149.26 146.72 27.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 -174.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 56.12 60.39 3.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.142 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.416 HG23 ' HB3' ' A' ' 48' ' ' PHE . 84.3 t -73.84 120.36 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.179 176.214 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -114.21 121.02 42.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -167.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.443 ' HA ' HG22 ' A' ' 46' ' ' VAL . 88.3 t -92.83 123.3 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.158 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 88.1 t -94.53 128.34 40.49 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.574 0.702 . . . . 0.0 111.181 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -65.41 120.34 7.53 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.708 2.272 . . . . 0.0 112.343 177.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 94.2 mt -95.94 -13.53 23.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -175.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -126.77 142.78 51.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.806 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -136.58 150.35 48.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 -178.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -101.43 144.98 29.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.919 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 57.2 p-80 -155.37 165.03 37.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.858 178.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 64.9 t-80 -160.03 142.26 13.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 33.4 p80 -168.58 161.52 11.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.803 179.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.7 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 C--O 1.229 0.026 0 CA-C-O 120.789 0.328 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.07 144.84 50.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.095 179.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 75.0 mtm -141.81 148.11 38.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -178.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 25.4 p30 -121.59 171.84 8.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 178.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.83 174.71 30.07 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.459 178.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 96.4 m -130.96 130.68 43.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.803 0.335 . . . . 0.0 111.168 -178.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 97.1 mt -93.23 128.77 44.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.181 172.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.0 p -89.32 -47.8 7.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.146 -176.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 71.3 p -136.13 147.34 47.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.158 172.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 66.3 t90 -151.31 123.52 8.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -118.42 106.91 13.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.84 -177.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -62.73 -50.33 71.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.953 -175.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -70.33 -28.33 65.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.822 -172.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -97.28 -17.94 19.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -175.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.11 42.22 29.77 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.514 174.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -120.61 143.62 48.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.896 0.379 . . . . 0.0 110.96 175.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -149.63 147.48 17.83 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.426 167.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -132.49 142.11 49.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.843 0.354 . . . . 0.0 110.892 -177.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 95.5 mt -124.19 136.68 59.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.258 -175.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -102.17 120.77 41.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 176.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -85.36 168.25 14.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 -173.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.61 -20.16 63.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 172.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -83.85 -12.89 54.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.801 175.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.12 4.82 62.74 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 173.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -81.2 136.92 35.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.776 0.322 . . . . 0.0 110.896 179.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -97.67 111.42 23.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 176.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 71.7 mtt85 -115.73 145.17 43.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.817 -172.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -94.26 138.89 31.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 178.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.595 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 41.5 p90 -132.27 160.74 35.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.891 -178.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.487 ' HB3' HG12 ' A' ' 32' ' ' ILE . 80.0 m80 -106.69 142.13 36.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 172.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.6 m -64.4 -22.0 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.093 178.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.487 HG12 ' HB3' ' A' ' 30' ' ' HIS . 46.0 pt -75.78 -17.22 15.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 177.593 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -93.82 17.8 11.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.998 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.523 ' HA ' ' HB ' ' A' ' 62' ' ' VAL . 71.6 t -111.46 136.82 46.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.159 -178.142 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.9 -45.32 74.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.072 -177.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.406 ' HB2' HG22 ' A' ' 64' ' ' VAL . 69.0 m-80 -138.65 82.43 21.7 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.637 0.732 . . . . 0.0 110.931 175.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.58 -14.46 44.94 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.743 2.295 . . . . 0.0 112.337 -177.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -70.54 -28.88 65.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.918 177.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.6 mt -95.66 -6.42 40.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.961 -173.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 38.2 mm -62.66 135.37 27.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 177.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.558 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 99.4 mttt -128.0 155.04 44.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 175.225 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -51.9 -72.75 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -174.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -84.98 -29.32 25.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.86 -176.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.58 22.86 4.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.115 -172.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 41' ' ' LYS . . . -65.37 170.17 5.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.079 -171.541 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.423 HG22 ' HA ' ' A' ' 64' ' ' VAL . 35.9 m -106.43 -155.06 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 -173.71 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.0 t -113.72 163.22 15.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.166 -156.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -152.66 165.75 34.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.861 -168.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -98.52 127.51 35.75 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.692 0.758 . . . . 0.0 110.892 169.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -69.1 133.88 27.93 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.637 2.225 . . . . 0.0 112.36 -177.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 81.8 p -140.2 160.92 38.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.187 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.9 m -132.67 135.34 45.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.109 -174.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -127.28 169.57 13.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.877 176.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -69.47 -14.81 63.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 174.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -94.68 -7.33 41.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 135.56 -174.91 21.06 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.469 178.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.9 mt -79.59 141.38 36.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.81 0.338 . . . . 0.0 110.976 -179.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 87.9 p -144.42 170.16 16.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -172.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.595 ' HB1' ' HB3' ' A' ' 29' ' ' PHE . . . -124.17 143.18 50.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.022 -176.541 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -141.87 153.98 44.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -176.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 57.51 59.35 3.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.204 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.523 ' HB ' ' HA ' ' A' ' 34' ' ' VAL . 91.0 t -78.81 124.7 37.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.127 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -120.2 128.23 53.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.874 -171.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.423 ' HA ' HG22 ' A' ' 46' ' ' VAL . 91.9 t -89.04 122.38 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.208 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 97.3 t -96.22 130.18 31.71 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.655 0.74 . . . . 0.0 111.132 176.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -61.7 110.23 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.652 2.234 . . . . 0.0 112.378 175.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 95.1 mt -94.93 -16.2 23.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.842 -174.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -117.83 140.31 49.87 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 178.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -135.96 148.01 48.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -178.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 64.6 t-80 -78.22 144.83 35.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 -155.02 164.99 38.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 178.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 64.2 t-80 -159.96 143.51 14.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 57.3 p-80 -162.73 169.68 19.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.868 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.704 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.2 mtp . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.836 0.35 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.35 155.57 28.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.172 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 74.9 mtm -130.32 154.97 47.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.888 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -107.57 146.0 32.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -160.05 -167.91 21.28 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.495 -176.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.7 t -147.0 136.99 23.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.773 0.32 . . . . 0.0 111.153 176.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 89.5 mt -82.91 126.15 40.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.104 174.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.7 p -92.2 -29.93 16.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.194 -169.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.3 t -159.59 147.75 17.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 178.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 43.9 p90 -139.85 125.32 19.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.957 176.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -109.24 101.72 10.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.837 -176.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -63.64 -35.63 81.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -177.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -68.08 -31.17 70.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.814 -176.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -100.34 -18.83 16.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -177.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.05 14.6 78.78 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.445 -177.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -112.62 155.43 24.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.941 0.4 . . . . 0.0 110.863 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -150.27 168.66 30.24 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.47 171.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.435 ' CE2' ' HB3' ' A' ' 28' ' ' TYR . 94.5 m-85 -129.59 139.96 51.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.847 0.355 . . . . 0.0 110.844 -178.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.8 tt -134.39 139.54 47.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.06 -172.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -94.02 124.88 38.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 178.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -79.78 160.11 26.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 -175.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 50.8 tt0 -55.71 -23.18 27.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 167.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -85.29 -9.43 57.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 178.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.86 3.68 65.82 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.56 175.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -83.92 149.91 26.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.912 0.387 . . . . 0.0 110.874 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 -100.27 115.39 29.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 175.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 67.5 mtt85 -120.32 144.9 47.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -177.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.435 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 32.1 p90 -106.84 152.18 24.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 -177.155 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -146.83 158.53 43.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.931 -179.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 66.6 t-80 -110.97 147.34 34.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 171.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.8 t -51.12 -40.3 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.103 -179.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 85.8 mt -68.72 -28.24 39.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.059 178.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -84.89 1.65 46.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.99 -176.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.654 HG13 ' HB ' ' A' ' 62' ' ' VAL . 95.5 t -107.82 135.44 46.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.144 -179.305 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.1 -42.24 76.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.052 -177.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.447 HD21 ' HA ' ' A' ' 36' ' ' ASN . 9.5 m120 -78.27 154.29 79.53 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.603 0.716 . . . . 0.0 110.842 175.073 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.413 ' O ' HG12 ' A' ' 40' ' ' ILE . 43.8 Cg_endo -70.69 169.01 21.13 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.743 2.295 . . . . 0.0 112.358 -175.216 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 49.1 p30 -70.57 9.66 0.61 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 -177.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.407 ' H ' ' C ' ' A' ' 37' ' ' PRO . 95.5 mt -82.41 -2.64 53.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 174.501 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.532 HD12 HG11 ' A' ' 34' ' ' VAL . 33.4 pt -91.85 14.42 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 -179.602 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.89 ' O ' ' HD2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -80.03 98.43 7.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -178.2 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -171.26 165.3 7.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.954 -173.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -74.77 -30.98 61.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.828 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.91 -6.12 55.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 -173.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.38 154.93 36.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.084 177.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.0 m -119.57 172.52 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.221 -173.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.2 t -100.24 -163.34 1.02 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.091 -172.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -165.87 172.54 11.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 -156.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -55.25 129.96 68.49 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.644 0.735 . . . . 0.0 110.886 178.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -76.34 153.67 35.76 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.64 2.226 . . . . 0.0 112.359 -172.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 59.0 p -136.42 156.92 47.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 174.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 85.4 m -133.36 130.99 39.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.196 -175.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 26.5 p30 -133.88 -178.53 5.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 173.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -73.51 -16.85 61.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -174.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -92.8 -7.23 47.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -177.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 135.02 -173.01 21.79 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.455 178.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.0 mt -79.71 138.86 37.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.863 0.363 . . . . 0.0 110.809 178.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 98.8 p -144.58 172.25 13.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.847 -169.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -132.28 135.41 46.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.151 177.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -125.79 154.77 42.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.012 177.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.02 45.53 27.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.072 174.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.654 ' HB ' HG13 ' A' ' 34' ' ' VAL . 97.0 t -73.25 124.95 31.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.119 -170.231 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -115.69 131.8 56.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -176.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 93.7 t -108.57 133.29 54.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.127 -177.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.8 m -89.37 148.79 41.35 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.627 0.727 . . . . 0.0 111.158 -171.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -68.24 120.34 7.31 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.72 2.28 . . . . 0.0 112.402 175.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 96.4 mt -98.24 -19.06 18.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.938 -177.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -74.63 130.02 38.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.794 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 61.9 t-80 -63.64 138.07 58.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.835 176.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.7 p80 -59.96 167.22 2.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -125.07 160.71 28.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.818 -178.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 55.7 p-80 -160.86 173.17 15.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -178.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -127.0 146.69 50.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 178.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 85.0 t60 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 -178.658 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.1 mtp . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.795 0.331 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -154.96 154.97 33.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.071 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 75.0 mtm -128.47 154.94 45.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.967 179.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -105.37 150.99 24.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.864 -176.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -161.51 -166.63 20.62 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.426 176.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.2 t -146.93 139.71 25.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.801 0.334 . . . . 0.0 111.105 174.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 95.1 mt -83.85 125.01 40.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.069 176.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 80.7 p -93.88 -29.84 15.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 -170.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.1 t -157.63 154.87 29.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 176.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 32.8 t-105 -139.87 125.12 18.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -176.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -112.12 85.66 2.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.8 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -62.1 -36.55 82.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -177.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -65.69 -26.16 67.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -102.58 -13.48 17.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.93 23.1 77.14 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.476 -178.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -116.0 154.37 29.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.892 0.377 . . . . 0.0 110.864 -177.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -143.76 157.36 27.02 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.461 166.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.501 ' CE2' ' HB3' ' A' ' 28' ' ' TYR . 73.1 m-85 -123.61 136.94 54.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.871 0.367 . . . . 0.0 110.87 -178.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.9 tt -133.46 138.17 51.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 -171.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -96.47 124.9 40.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -178.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -85.09 152.29 23.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.976 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -69.6 -7.29 37.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.838 171.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -83.18 -10.94 58.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 171.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.16 1.03 59.61 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.456 172.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -97.66 141.57 30.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.891 0.377 . . . . 0.0 110.833 178.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -97.3 126.91 42.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.949 175.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 75.9 mtt85 -124.39 144.49 50.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -175.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.501 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 43.5 p90 -110.52 152.03 26.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 -178.635 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -148.35 156.56 42.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.9 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 66.0 t-80 -108.03 147.18 31.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 176.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 66.9 t -53.15 -38.29 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.161 -179.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 90.0 mt -73.21 -28.99 26.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.101 178.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -88.72 5.43 43.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 -171.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.9 m -124.27 156.78 31.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.55 -42.54 52.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.078 -174.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.47 ' HB3' HG21 ' A' ' 40' ' ' ILE . 1.0 OUTLIER -85.92 150.26 52.5 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.582 0.706 . . . . 0.0 110.865 -179.55 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.402 ' O ' HG12 ' A' ' 40' ' ' ILE . 55.4 Cg_endo -76.0 177.85 8.21 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.752 2.302 . . . . 0.0 112.327 -170.512 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 53.3 p30 -70.05 7.96 0.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.956 -177.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.2 mt -80.05 -3.98 50.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.947 173.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.47 HG21 ' HB3' ' A' ' 36' ' ' ASN . 36.8 pt -89.55 12.59 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 -179.18 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.809 ' O ' ' HD2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -80.02 98.68 7.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -170.5 165.02 8.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 -177.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -73.06 -33.05 65.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -178.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -84.68 -0.15 52.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 -173.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.15 157.64 21.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.222 178.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.5 m -115.98 166.69 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.116 -171.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.0 t -101.54 -164.08 1.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 -175.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -163.72 171.56 15.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.952 -159.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -53.67 128.95 54.21 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.637 0.732 . . . . 0.0 110.893 177.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -77.3 154.7 32.31 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.654 2.236 . . . . 0.0 112.392 -171.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 64.7 p -136.47 159.69 41.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.122 175.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.0 m -134.98 130.15 35.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.167 -176.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 27.9 p30 -130.73 -174.32 3.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 175.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -74.8 -14.58 60.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.834 -175.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -93.82 -5.0 49.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 126.12 -164.87 19.54 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.463 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 94.4 mt -78.12 139.69 39.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.871 0.367 . . . . 0.0 110.846 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 89.5 p -146.88 173.62 12.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -172.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -132.76 136.36 46.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -128.04 155.61 44.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 177.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.0 45.64 25.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 174.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 93.5 t -79.31 127.74 38.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.199 -175.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -130.11 144.17 51.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.846 -178.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 98.7 t -96.21 129.94 45.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 -178.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 22.3 m -97.94 151.81 37.75 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.671 0.748 . . . . 0.0 111.143 -174.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -63.37 112.08 1.64 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.712 2.275 . . . . 0.0 112.327 177.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 94.0 mt -93.39 -14.62 26.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -62.51 130.64 46.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 178.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 -64.23 137.82 58.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.823 176.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 31.3 p80 -60.06 167.94 2.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -125.99 156.7 39.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -177.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 57.3 p-80 -164.86 173.85 11.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.818 -177.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -126.74 147.15 50.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 178.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 85.3 t60 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 -178.81 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.4 mtp . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.762 0.315 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.87 -34.55 10.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.02 -174.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.7 ptp -144.57 164.53 30.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.828 -177.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -104.3 158.96 16.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.963 -179.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.734 ' HA3' HD12 ' A' ' 19' ' ' ILE . . . -121.08 162.38 14.83 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.558 -178.443 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 93.8 m -120.43 140.52 51.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.744 0.307 . . . . 0.0 111.079 172.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.44 HD12 ' HB2' ' A' ' 10' ' ' TRP . 18.7 tt -74.62 134.06 30.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.216 -178.197 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.437 HG23 HG21 ' A' ' 9' ' ' THR . 91.6 m -102.82 -55.14 2.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.08 164.043 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.437 HG21 HG23 ' A' ' 8' ' ' THR . 72.7 p -139.63 152.9 47.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.128 171.458 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.44 ' HB2' HD12 ' A' ' 7' ' ' ILE . 17.3 t90 -127.92 120.56 27.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 173.298 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -110.64 82.39 1.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 177.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.76 -42.05 97.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.962 -173.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -69.4 -23.68 63.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.802 -176.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -96.97 -18.43 19.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.929 -179.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.99 33.64 54.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.532 -177.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -136.55 159.65 41.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.812 0.339 . . . . 0.0 110.841 178.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -157.09 168.94 34.12 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.508 170.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -114.95 136.64 52.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.766 0.317 . . . . 0.0 110.88 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.734 HD12 ' HA3' ' A' ' 5' ' ' GLY . 7.3 tp -124.54 135.67 63.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 -171.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -97.67 122.82 41.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 172.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 22' ' ' GLU . 57.0 t0 -78.05 146.91 35.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.946 179.004 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.441 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 94.3 mt-10 -57.27 -21.66 36.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 171.378 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 73.8 m-80 -80.88 -7.2 59.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.954 176.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.19 -0.11 68.51 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.463 177.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -86.88 130.23 34.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.798 0.332 . . . . 0.0 110.857 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 73.4 m-80 -94.18 128.93 40.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 178.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 96.2 mtm-85 -134.06 160.03 38.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.817 -174.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -95.63 134.29 38.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 177.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.414 ' HD1' ' HA ' ' A' ' 29' ' ' PHE . 2.0 m-30 -109.96 134.35 52.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.877 176.454 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -105.35 143.26 33.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 176.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.6 p -57.27 -25.4 23.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.18 177.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.9 mt -76.66 -31.6 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 175.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -94.46 9.82 36.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.971 -168.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.8 m -108.02 148.22 12.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.089 175.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.2 -34.97 78.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.125 -177.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.436 ' HB3' ' HB2' ' A' ' 39' ' ' LEU . 98.6 m-20 -107.88 85.39 2.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.631 0.729 . . . . 0.0 110.912 174.53 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -68.64 -60.69 0.08 OUTLIER 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.655 2.237 . . . . 0.0 112.347 178.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -66.79 -30.77 71.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 -177.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.436 ' HB2' ' HB3' ' A' ' 36' ' ' ASN . 91.3 mt -97.32 15.75 22.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 18.8 tt -56.01 132.7 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 176.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -138.54 176.37 8.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.929 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -39.82 130.32 1.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 172.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -74.25 3.84 6.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.817 -174.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.12 -5.31 17.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.113 177.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -148.33 81.98 1.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 171.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.0 m -140.54 160.02 24.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.155 177.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.2 t -140.41 144.9 36.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 169.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -154.87 170.01 22.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -167.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -110.67 134.03 21.02 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.611 0.72 . . . . 0.0 110.826 179.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.73 140.44 39.02 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.69 2.26 . . . . 0.0 112.347 -178.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.404 ' HG1' ' HD2' ' A' ' 60' ' ' TYR . 70.8 p -140.95 162.55 35.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 178.379 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.2 m -127.43 129.58 47.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.157 -178.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -120.68 99.99 6.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 175.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 59.98 -120.04 0.93 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -173.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -96.58 4.59 51.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 177.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -106.08 137.35 13.77 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.454 -177.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 99.4 mt -84.26 141.66 30.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.837 0.351 . . . . 0.0 110.866 177.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 78.4 p -147.4 175.73 10.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 176.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -148.46 142.64 26.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.13 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.404 ' HD2' ' HG1' ' A' ' 51' ' ' THR . 96.9 m-85 -140.05 175.88 9.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.991 -178.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 59.71 54.13 4.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.079 -172.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 52.8 t -91.89 105.43 16.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.133 -175.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -105.18 136.57 44.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -177.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 94.5 t -85.32 125.76 40.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.099 177.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 29.1 m -118.85 148.19 43.97 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.614 0.721 . . . . 0.0 111.09 -170.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_endo -74.21 152.68 45.3 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.587 2.192 . . . . 0.0 112.323 177.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 94.9 mt -104.9 5.35 32.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 176.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -156.07 159.88 39.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 65.7 t-80 -70.09 135.82 49.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 178.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -120.61 153.45 36.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 178.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -117.23 144.99 44.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -178.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -134.86 153.01 52.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -178.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -88.03 150.0 23.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 85.3 t60 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.835 -179.676 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 CA--C 1.526 0.023 0 CA-C-O 120.827 0.346 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.466 ' HB1' ' HD2' ' A' ' 50' ' ' PRO . . . -92.59 -13.01 30.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 -171.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 62.4 tpp -149.86 151.46 33.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.888 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 17.0 p30 -129.92 162.55 28.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.885 171.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -172.33 -163.45 26.21 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.48 -175.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.0 t -130.35 141.56 50.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 0.0 111.138 -179.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 87.8 mt -83.37 124.96 40.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.142 -172.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 78.4 p -103.49 -28.9 11.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.226 -178.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 89.4 m -148.45 125.0 11.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.229 174.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -99.19 135.47 40.54 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.87 -175.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.627 ' CD2' ' O ' ' A' ' 11' ' ' PHE . 45.5 p90 -80.03 80.71 6.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.977 178.724 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -69.06 -68.83 0.37 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -178.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -100.21 -33.47 10.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 -174.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -90.4 -23.09 21.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -158.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.73 23.64 66.66 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.541 -175.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.445 ' C ' ' HB3' ' A' ' 11' ' ' PHE . 87.0 m-85 -128.71 116.2 19.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.863 0.363 . . . . 0.0 110.825 171.661 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -133.95 174.23 20.93 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 175.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -135.55 144.03 46.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.788 0.328 . . . . 0.0 110.871 -176.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.5 tp -130.33 136.53 58.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.181 -179.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -100.07 119.97 39.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 176.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 48.8 p30 -94.54 -178.82 4.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 -170.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -64.28 -20.2 65.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -90.13 -9.47 48.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -176.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.58 7.27 65.11 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.396 177.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -90.07 168.21 12.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.83 0.347 . . . . 0.0 110.863 -178.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -115.02 116.35 28.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 178.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 68.2 mtt85 -113.66 155.01 26.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -178.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -82.38 138.23 34.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.996 -172.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.41 ' HD1' ' HA ' ' A' ' 29' ' ' PHE . 2.6 m-30 -109.17 132.49 54.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 169.49 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -134.46 144.41 48.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.818 175.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.6 p -56.91 -28.98 29.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.076 -177.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.43 HG13 ' HG3' ' A' ' 33' ' ' LYS . 47.9 pt -77.79 -18.45 13.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.129 179.176 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.457 ' HB3' ' HA ' ' A' ' 60' ' ' TYR . 97.3 mttt -105.32 -4.17 21.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.329 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.49 HG23 ' HB ' ' A' ' 62' ' ' VAL . 86.1 t -106.51 123.38 61.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 177.493 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.81 -40.32 63.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 -171.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -85.06 155.64 60.71 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.646 0.736 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_exo -54.61 140.28 75.9 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.759 2.306 . . . . 0.0 112.362 -170.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 58.4 p30 -65.68 -5.29 8.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.842 174.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 98.4 mt -85.52 -8.78 58.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.955 175.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.3 mm -108.84 112.46 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.109 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.497 ' O ' ' HB2' ' A' ' 42' ' ' LYS . 65.6 pttt -130.64 154.1 48.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.972 179.535 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.497 ' HB2' ' O ' ' A' ' 41' ' ' LYS . 84.4 tttt 173.72 109.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.917 178.251 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 57.2 p-10 -74.55 -7.32 52.72 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.837 -174.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.451 ' HB1' ' HE2' ' A' ' 42' ' ' LYS . . . -80.83 -7.22 59.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.054 -176.753 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -166.93 125.76 1.4 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.042 176.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.0 p -162.54 145.0 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.095 169.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 58.4 m -132.03 140.62 48.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.102 178.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -154.75 168.14 27.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -171.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -107.8 127.4 27.78 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.651 0.738 . . . . 0.0 110.915 172.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.466 ' HD2' ' HB1' ' A' ' 2' ' ' ALA . 85.3 Cg_endo -81.55 158.71 19.34 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.665 2.244 . . . . 0.0 112.294 -173.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.1 p -135.58 170.79 15.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 171.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.4 m -140.88 122.43 15.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 169.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.435 ' HB2' ' O ' ' A' ' 56' ' ' GLY . 57.3 m-80 -120.29 162.89 18.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -176.581 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -67.48 -26.85 66.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 175.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -96.14 -10.28 28.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.435 ' O ' ' HB2' ' A' ' 53' ' ' ASN . . . 138.36 148.44 5.33 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.474 175.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.832 ' H ' HD13 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -71.75 157.11 38.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.841 0.353 . . . . 0.0 110.888 -172.654 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 85.7 p -148.59 176.68 10.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 178.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -130.44 147.49 52.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.129 -176.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.457 ' HA ' ' HB3' ' A' ' 33' ' ' LYS . 26.0 p90 -145.09 174.08 11.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.943 179.42 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.14 49.44 17.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.082 -178.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.49 ' HB ' HG23 ' A' ' 34' ' ' VAL . 50.9 t -90.1 133.52 31.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.084 -171.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -123.44 124.93 43.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.949 175.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 97.5 t -111.69 136.51 47.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 174.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.7 m -67.59 150.73 97.69 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.629 0.728 . . . . 0.0 111.207 -170.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -66.32 150.72 84.46 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.544 2.162 . . . . 0.0 112.397 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 76.7 mt -101.38 40.6 1.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -176.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 62.4 38.15 13.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -177.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -134.88 66.19 1.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 173.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -165.23 140.05 5.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.843 -177.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -158.66 137.38 11.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 177.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 56.7 p-80 -155.65 165.04 37.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.801 -178.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 67.6 m170 55.28 45.37 25.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.815 -177.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 83.8 t60 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.89 -178.412 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.864 0.364 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.456 ' HA3' ' HE1' ' A' ' 48' ' ' PHE . . . -169.42 -171.19 34.82 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.466 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.9 t -140.15 148.87 42.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.77 0.319 . . . . 0.0 111.106 -176.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 94.6 mt -80.2 123.2 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 177.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.0 p -101.06 -33.5 10.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.196 -177.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.3 m -142.34 146.3 34.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 174.412 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 63.1 t-105 -140.07 126.61 20.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 -175.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -115.17 84.92 2.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 175.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -62.7 -26.0 68.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.91 -176.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -70.41 -30.09 66.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 177.305 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -102.92 -10.74 18.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -177.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.15 34.61 51.4 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.501 170.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -156.53 168.79 26.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.932 0.396 . . . . 0.0 110.841 170.105 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -148.85 -176.61 22.35 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 174.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -117.71 137.09 52.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.813 0.339 . . . . 0.0 110.893 -173.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 98.3 mt -134.47 139.94 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 -177.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -89.59 121.92 32.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -177.638 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -74.95 146.76 41.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.821 -177.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -51.57 -22.0 2.95 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 170.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 75.1 m-80 -89.43 -4.57 57.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -178.135 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.34 3.71 64.85 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.514 177.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -86.11 124.92 33.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.841 0.353 . . . . 0.0 110.837 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -94.05 109.61 21.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.951 178.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -138.63 163.97 30.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 -172.515 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -108.36 146.75 32.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -171.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -126.96 145.8 50.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.92 175.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -104.42 146.24 29.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -173.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.4 m -60.03 -25.23 32.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.085 -176.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 86.6 mt -69.72 -29.26 40.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 174.44 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -86.49 4.11 41.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 -176.399 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 98.2 t -98.53 125.89 51.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.97 -38.9 79.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 -178.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -69.45 152.16 96.5 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.625 0.726 . . . . 0.0 110.871 170.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -53.0 137.86 62.01 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.645 2.23 . . . . 0.0 112.353 -174.372 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 59.1 p30 -66.95 -5.32 12.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.845 176.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.2 mt -89.97 -5.29 56.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 177.534 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 87.8 mt -119.96 114.52 44.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 -178.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -133.77 149.7 51.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.419 ' HG3' ' H ' ' A' ' 44' ' ' ALA . 56.5 tptt -167.79 134.99 2.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 172.079 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 57.4 p-10 -87.03 0.3 55.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 -167.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.449 ' O ' ' HB2' ' A' ' 45' ' ' ALA . . . -84.49 -4.59 59.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.071 -165.734 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 44' ' ' ALA . . . 174.85 126.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 -176.705 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 92.2 t -135.63 145.62 31.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.073 171.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 89.9 m -120.95 132.02 54.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.177 168.243 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.456 ' HE1' ' HA3' ' A' ' 5' ' ' GLY . 51.4 p90 -155.32 166.71 32.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -166.04 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -96.85 143.94 27.0 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.606 0.717 . . . . 0.0 110.908 173.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -64.33 140.72 71.7 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.699 2.266 . . . . 0.0 112.353 178.04 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.7 t -160.8 178.55 9.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.13 -170.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 57.1 p -132.35 173.33 11.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 170.187 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 51.1 p30 -40.08 156.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 169.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 50.6 p-10 -76.91 11.58 1.7 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 -167.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -85.77 -28.28 24.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 173.076 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -112.33 -103.57 2.67 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.519 169.556 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.3 mt -73.96 149.78 41.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.806 0.336 . . . . 0.0 110.918 -170.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 97.5 p -104.47 162.99 12.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 178.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -130.5 145.64 51.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.096 -178.275 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -159.46 166.62 30.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 177.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.46 53.99 9.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.092 179.244 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 95.3 t -88.04 140.12 16.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.159 172.512 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -125.45 123.31 38.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -174.146 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 92.7 t -106.11 133.47 50.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.185 175.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.432 ' HB ' ' HB3' ' A' ' 45' ' ' ALA . 88.3 t . . . . . 0 C--N 1.33 -0.257 0 CA-C-O 121.644 0.735 . . . . 0.0 111.176 -169.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.922 0.391 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -160.03 -177.55 33.22 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.506 -178.303 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.8 t -136.44 149.1 48.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.751 0.31 . . . . 0.0 111.126 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.416 HG13 HG21 ' A' ' 46' ' ' VAL . 94.1 mt -80.98 121.11 33.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.075 178.766 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.7 m -100.37 -37.91 8.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.128 -176.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 89.9 m -138.84 140.15 38.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.183 -177.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 40.9 t-105 -142.06 126.74 18.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.978 -175.225 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -117.62 89.14 3.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.861 170.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -62.43 -25.34 67.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.89 -176.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -69.55 -28.88 66.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -103.21 -13.49 16.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.91 -178.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.42 32.68 68.08 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.496 -174.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.429 ' CZ ' ' HB3' ' A' ' 28' ' ' TYR . 86.7 t80 -143.01 135.11 27.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.928 0.394 . . . . 0.0 110.895 -167.149 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -151.5 -178.78 26.6 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.5 -173.672 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -134.87 135.01 41.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.775 0.321 . . . . 0.0 110.939 -173.397 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 92.4 mt -129.94 136.27 59.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.16 -171.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -106.07 122.2 45.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.948 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -82.1 139.39 34.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.833 177.122 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.68 -13.04 52.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 176.46 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -94.48 7.43 45.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 177.104 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.6 -1.16 75.14 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.535 171.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -85.45 90.86 8.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.858 0.361 . . . . 0.0 110.911 178.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -101.66 112.73 25.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.964 -173.076 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.444 ' HE ' ' HA ' ' A' ' 52' ' ' THR . 88.6 mmt-85 -139.07 156.84 46.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 -163.489 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.429 ' HB3' ' CZ ' ' A' ' 16' ' ' PHE . 88.4 m-85 -89.99 141.08 29.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 174.122 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -134.2 150.28 51.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.888 -178.021 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -110.16 147.91 32.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 177.072 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.4 m -59.18 -25.29 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.052 -176.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.1 mt -66.87 -29.93 47.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.148 176.468 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -86.09 5.17 34.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -176.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.46 ' HA ' ' HB ' ' A' ' 62' ' ' VAL . 54.6 t -94.67 120.19 43.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.045 -179.241 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.8 -40.13 76.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.093 -178.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -68.52 156.48 90.52 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.616 0.722 . . . . 0.0 110.886 170.04 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -49.72 126.78 17.17 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.625 2.217 . . . . 0.0 112.369 -175.205 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 58.9 p30 -67.82 -4.7 13.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.817 176.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.7 mt -87.56 -5.72 58.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.825 176.423 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 89.2 mt -119.36 114.18 43.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.094 -178.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -129.0 142.17 51.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.861 176.401 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.423 ' HG3' ' H ' ' A' ' 44' ' ' ALA . 56.3 tptt -169.13 130.49 1.16 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.916 173.065 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 56.3 p30 -81.06 4.37 20.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.86 -171.266 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.509 ' O ' ' HB2' ' A' ' 45' ' ' ALA . . . -81.11 -4.89 56.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.104 -170.542 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.509 ' HB2' ' O ' ' A' ' 44' ' ' ALA . . . 173.95 125.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.169 178.64 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.416 HG21 HG13 ' A' ' 7' ' ' ILE . 53.6 t -135.08 144.96 32.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.069 170.514 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.1 m -127.59 137.25 52.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.151 169.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 42.5 p90 -161.34 171.81 17.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -173.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -91.0 146.74 34.28 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.598 0.713 . . . . 0.0 110.917 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -63.12 141.66 83.97 Favored 'Trans proline' 0 N--CA 1.464 -0.227 0 C-N-CA 122.692 2.262 . . . . 0.0 112.433 174.303 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.6 t -164.01 173.02 13.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.179 -167.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.444 ' HA ' ' HE ' ' A' ' 27' ' ' ARG . 61.6 p -133.78 169.21 17.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.169 167.606 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -40.26 150.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.883 172.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 50.5 p-10 -76.4 14.18 0.81 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -166.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -79.6 -30.57 41.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 170.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -110.89 -88.76 1.88 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.543 164.074 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.413 ' HB2' ' H ' ' A' ' 52' ' ' THR . 98.5 mt -78.96 154.0 29.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.752 0.31 . . . . 0.0 110.906 -172.477 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 92.7 p -98.04 161.6 13.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 174.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -124.64 136.8 54.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.059 -179.045 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 53.5 p90 -161.91 168.43 22.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -176.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.99 54.43 8.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.117 176.166 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.46 ' HB ' ' HA ' ' A' ' 34' ' ' VAL . 94.9 t -88.62 138.53 19.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 169.593 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -127.35 119.26 25.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.969 -175.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 89.3 t -107.31 134.44 49.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 177.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 76.9 t . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 121.651 0.738 . . . . 0.0 111.201 -169.96 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.898 0.38 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.69 -178.36 36.46 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.0 t -128.37 142.22 51.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.707 0.289 . . . . 0.0 111.101 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.431 HG13 HG21 ' A' ' 46' ' ' VAL . 97.2 mt -77.97 124.64 36.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 177.368 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 92.6 m -93.6 -39.19 10.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.182 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.432 HG22 ' HB3' ' A' ' 18' ' ' PHE . 11.2 t -149.67 148.84 29.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.178 178.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 52.4 t-105 -139.99 128.64 23.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.915 -172.089 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -118.86 90.1 3.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 176.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -65.19 -24.5 67.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.9 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -73.79 -30.51 62.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.911 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -100.47 -14.14 18.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.95 38.4 64.56 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.556 -176.144 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -152.21 142.83 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.964 0.411 . . . . 0.0 110.857 -166.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -159.26 -179.79 34.32 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.443 -177.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.432 ' HB3' HG22 ' A' ' 9' ' ' THR . 50.3 t80 -132.42 134.54 45.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 110.919 -172.541 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.408 HD13 HG11 ' A' ' 46' ' ' VAL . 98.7 mt -130.34 140.11 49.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.18 -172.693 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -104.86 124.08 48.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 178.19 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -79.71 137.25 36.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.816 -178.162 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -58.45 -17.21 18.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 173.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 75.1 m-80 -82.58 -2.2 53.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 177.164 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.47 -2.21 70.36 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.51 174.401 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -88.36 124.52 34.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.81 0.338 . . . . 0.0 110.87 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -99.54 122.94 43.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.958 -178.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -138.62 148.8 44.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 -169.013 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -98.81 142.17 30.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 173.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -131.54 145.42 51.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.842 -175.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -111.65 144.88 40.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.836 177.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 32.4 m -60.23 -22.39 24.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 -172.185 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 71.6 mt -62.9 -31.07 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -90.56 6.94 41.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 -178.05 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 54.7 t -100.3 122.4 52.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.13 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.58 -38.83 81.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.078 -176.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -73.63 154.88 89.49 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.646 0.736 . . . . 0.0 110.934 172.006 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.515 ' HB2' HG12 ' A' ' 40' ' ' ILE . 93.1 Cg_exo -54.07 138.6 70.95 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.694 2.263 . . . . 0.0 112.355 -171.72 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 60.0 p30 -60.82 -8.41 3.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 176.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.6 mt -85.16 -2.98 58.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 178.334 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.515 HG12 ' HB2' ' A' ' 37' ' ' PRO . 49.3 mm -105.27 112.65 39.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 -174.069 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -126.16 139.35 53.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 171.19 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -166.53 135.22 2.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 174.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 57.0 p-10 -91.01 -3.04 57.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.907 -166.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.435 ' O ' ' HB2' ' A' ' 45' ' ' ALA . . . -87.68 -3.91 58.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 -166.174 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.466 ' HB3' HG21 ' A' ' 65' ' ' VAL . . . 174.41 126.01 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.077 -174.741 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.431 HG21 HG13 ' A' ' 7' ' ' ILE . 86.4 t -137.9 145.49 28.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 164.628 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 89.7 m -122.74 139.35 54.07 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 171.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 39.7 p90 -157.8 169.56 24.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.804 -172.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -93.19 151.74 40.67 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.597 0.713 . . . . 0.0 110.877 176.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -62.37 138.08 69.15 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.698 2.265 . . . . 0.0 112.356 175.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.485 HG21 ' HB2' ' A' ' 59' ' ' ALA . 14.9 t -160.01 171.55 19.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.085 -170.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 33.8 p -134.84 176.08 8.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.198 164.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -37.87 153.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 167.439 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 50.6 p-10 -75.19 15.18 0.45 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.976 -163.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -90.44 -27.02 19.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.916 173.181 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -114.2 -104.82 2.6 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.421 172.055 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.6 mt -76.68 155.04 33.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 0.0 110.884 -168.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 92.7 p -110.24 157.38 19.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.485 ' HB2' HG21 ' A' ' 51' ' ' THR . . . -119.68 144.93 46.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.049 -179.319 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 54.6 p90 -154.88 164.11 39.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.941 -176.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.5 49.82 17.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.036 175.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 89.2 t -86.12 137.84 20.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 173.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -129.61 122.58 29.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -173.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 78.7 t -111.35 137.32 44.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 174.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.466 HG21 ' HB3' ' A' ' 45' ' ' ALA . 74.9 t . . . . . 0 C--N 1.33 -0.264 0 CA-C-O 121.686 0.755 . . . . 0.0 111.178 -169.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.854 0.359 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -173.15 -165.78 30.59 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.45 178.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 88.5 m -130.56 134.43 47.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.814 0.34 . . . . 0.0 111.075 175.157 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.6 mt -77.55 128.39 38.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.069 178.601 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.6 p -92.03 -26.48 18.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 -171.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 89.4 m -133.42 131.07 39.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.211 -177.099 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 18.1 t90 -88.82 114.11 25.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.889 177.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.435 ' HB3' ' O ' ' A' ' 16' ' ' PHE . 14.6 p90 -89.03 79.39 7.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.831 -179.588 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -75.55 -62.67 1.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.921 -176.392 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -95.83 -27.36 15.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -174.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -93.2 -31.95 14.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -163.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.57 19.82 78.93 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.454 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.435 ' O ' ' HB3' ' A' ' 11' ' ' PHE . 18.8 m-30 -109.66 109.27 19.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.908 0.385 . . . . 0.0 110.893 175.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -115.32 143.97 18.28 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.541 -171.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -128.37 138.2 52.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.908 0.385 . . . . 0.0 110.833 176.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.0 tt -129.98 139.44 51.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.187 -176.359 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.7 tptt -99.08 121.12 40.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.974 175.023 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -81.06 151.38 28.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.848 -170.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -60.28 -14.64 19.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.91 165.57 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -87.27 -13.26 44.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 173.477 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.81 2.29 59.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.497 171.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -92.34 147.11 23.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 110.897 176.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -94.66 128.56 41.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.788 173.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.7 mtt85 -119.05 142.34 47.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.805 -177.239 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -114.09 132.35 56.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -177.205 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -148.92 176.66 10.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.991 -172.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 67.7 m80 -124.9 158.47 33.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -172.075 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.4 ' O ' HG22 ' A' ' 34' ' ' VAL . 12.5 p -56.91 -25.18 21.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.125 176.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 45.9 pt -80.79 -14.26 12.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 -178.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -99.47 -5.43 29.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -171.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 31' ' ' VAL . 35.7 m -103.14 146.71 10.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.147 -172.464 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.77 -48.02 34.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.186 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -90.42 138.79 26.78 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-O 121.615 0.721 . . . . 0.0 110.864 173.056 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -75.97 165.38 29.98 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.609 2.206 . . . . 0.0 112.34 -167.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 53.0 p-10 -61.4 -14.58 29.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.899 175.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.0 mt -84.9 -27.98 26.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.94 -179.115 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 77.6 mt -110.06 86.76 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 177.043 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -127.21 150.5 49.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 175.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -157.94 142.51 16.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.872 177.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -84.5 -15.57 45.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.839 -160.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -84.24 2.19 41.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.197 -168.066 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -171.35 125.95 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.08 -176.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 89.4 t -140.69 135.9 34.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 164.254 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.6 t -138.67 147.85 43.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.147 172.029 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 53.9 p90 -150.52 167.49 27.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -168.15 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -101.71 127.82 30.38 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.605 0.717 . . . . 0.0 110.846 167.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -73.32 138.63 27.78 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.601 2.201 . . . . 0.0 112.306 -174.085 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.438 HG21 ' CD2' ' A' ' 60' ' ' TYR . 54.2 p -144.45 172.99 12.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.179 178.753 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.2 t -145.25 138.17 26.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.157 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -120.83 163.3 18.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 171.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -67.32 -22.14 65.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 175.104 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -94.91 -4.66 46.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 145.19 165.95 11.48 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.433 176.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 88.5 mt -75.57 139.82 42.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.831 0.348 . . . . 0.0 110.891 -177.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 75.5 m -129.21 162.43 27.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -178.448 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -128.53 122.1 30.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.158 178.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.438 ' CD2' HG21 ' A' ' 51' ' ' THR . 21.5 m-30 -113.67 164.17 14.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 -172.517 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.01 54.29 9.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.106 176.531 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 95.6 t -83.37 132.65 30.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.196 -176.143 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -133.84 135.98 44.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 -170.217 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 93.0 t -97.99 125.02 51.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 175.257 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 85.8 t . . . . . 0 C--N 1.328 -0.356 0 CA-C-O 121.594 0.712 . . . . 0.0 111.133 -171.027 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 31.6 m120 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.82 0.343 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -160.03 -176.43 32.1 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.485 179.49 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 96.2 m -119.69 136.51 54.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.722 0.296 . . . . 0.0 111.085 176.197 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.5 mm -80.73 124.72 38.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.097 -177.395 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 96.9 m -84.77 -40.82 16.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.109 -175.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 92.8 m -135.11 133.53 39.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.189 -174.137 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 21.7 t90 -84.18 125.37 32.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 176.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.626 ' HB3' ' O ' ' A' ' 16' ' ' PHE . 17.8 p90 -89.24 80.0 6.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.473 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -72.4 -64.02 1.03 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 -178.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -98.29 -29.45 13.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.801 -172.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -92.23 -26.86 17.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.975 -162.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.63 18.85 80.03 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.467 -178.309 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.626 ' O ' ' HB3' ' A' ' 11' ' ' PHE . 21.0 m-85 -115.86 127.83 55.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.946 0.403 . . . . 0.0 110.866 178.45 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -130.52 153.48 20.22 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.5 -175.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -127.76 143.37 51.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 0.0 110.831 175.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.6 tt -134.17 137.43 51.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.206 -178.161 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -102.36 122.59 44.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 173.4 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -81.55 154.73 26.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.824 -167.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -61.01 -15.31 30.48 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 170.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -85.03 -13.57 50.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.921 174.462 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.06 3.47 60.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.507 175.394 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -89.9 148.38 23.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.885 0.374 . . . . 0.0 110.857 177.038 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -96.61 128.97 44.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 175.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.435 ' HG2' ' HB3' ' A' ' 57' ' ' LEU . 44.3 mtt85 -119.97 142.63 48.59 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.829 -179.274 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -112.93 128.38 56.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.95 175.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -137.61 170.11 16.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.954 -174.105 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 52.7 m80 -119.99 157.69 28.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -174.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.0 p -51.25 -29.84 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.089 177.01 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 47.6 pt -75.15 -17.9 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 -178.113 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.1 mttp -95.21 4.63 53.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 39.0 t -108.33 128.28 63.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.09 -178.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.05 -40.46 78.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 -177.317 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.412 HD22 ' HB ' ' A' ' 64' ' ' VAL . 99.3 m-20 -83.82 147.75 52.53 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.536 0.684 . . . . 0.0 110.957 172.297 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -70.57 163.47 38.8 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.599 2.199 . . . . 0.0 112.389 -176.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 52.1 p-10 -60.5 -14.92 22.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 176.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.5 mt -83.86 -19.98 33.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 77.3 mt -113.93 92.76 2.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.1 177.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -140.5 134.71 31.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 173.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -162.76 152.22 15.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -172.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 57.4 p30 -83.45 6.63 19.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.851 -173.367 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.18 -14.35 59.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.134 -170.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.44 ' HB3' ' H ' ' A' ' 65' ' ' VAL . . . -176.44 138.06 0.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.072 176.528 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 63.7 t -138.86 133.27 41.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.119 170.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.7 t -148.18 149.38 31.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 167.224 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -154.31 168.8 25.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -177.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -94.73 139.56 22.27 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.667 0.746 . . . . 0.0 110.856 176.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -67.02 122.84 10.21 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.684 2.256 . . . . 0.0 112.306 -176.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 36.7 p -143.48 166.04 25.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.105 177.444 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 10.1 t -157.85 145.19 18.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.104 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -115.61 162.74 16.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 175.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -68.27 -22.03 64.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 175.243 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -94.2 -4.2 49.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 147.27 159.76 8.51 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.5 179.025 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.435 ' HB3' ' HG2' ' A' ' 27' ' ' ARG . 11.2 mp -75.27 139.33 42.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.816 0.341 . . . . 0.0 110.923 -176.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 53.0 m -130.94 164.04 26.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.808 -176.285 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -113.33 134.7 54.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.181 176.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -129.64 147.17 51.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.975 -172.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 57.62 52.91 7.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.105 -176.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 88.5 t -80.23 129.78 37.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 -177.06 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -133.86 130.95 38.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -172.318 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.412 ' HB ' HD22 ' A' ' 36' ' ' ASN . 93.8 t -98.26 123.35 50.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.162 166.095 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.44 ' H ' ' HB3' ' A' ' 45' ' ' ALA . 83.9 t . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 121.628 0.728 . . . . 0.0 111.179 -168.61 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.906 0.384 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -176.71 -172.56 41.47 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.562 -178.139 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.3 p -128.43 147.74 50.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.824 0.345 . . . . 0.0 111.121 -178.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.1 mt -81.92 123.61 38.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.071 172.32 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.6 m -82.04 -39.33 23.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.033 175.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.1 t -147.52 141.41 25.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.174 177.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 18.2 t90 -129.6 124.87 34.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.951 -175.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -117.71 84.52 2.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 177.632 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -62.29 -38.56 89.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -177.244 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -70.13 -26.44 63.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -177.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -97.03 -13.65 22.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.9 31.72 61.81 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.464 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -135.33 142.95 45.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.967 0.413 . . . . 0.0 110.896 -174.021 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.401 ' HA3' ' CE1' ' A' ' 29' ' ' PHE . . . -142.1 162.22 27.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.466 176.069 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.495 ' CE2' ' HB3' ' A' ' 26' ' ' ASN . 45.7 t80 -139.35 132.98 30.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.889 0.375 . . . . 0.0 110.86 -178.255 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 43.4 pt -129.74 149.09 33.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.159 -162.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -108.28 131.27 54.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 169.582 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -76.13 156.31 33.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.809 -173.357 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -56.99 -17.37 9.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.78 163.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 -90.82 -7.03 53.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.834 175.277 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.18 -0.57 72.26 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.447 176.074 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -84.15 136.8 33.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.849 0.357 . . . . 0.0 110.873 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.495 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 72.6 m-80 -99.02 130.42 45.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.6 ptp85 -148.35 163.27 37.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.263 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 54.6 p90 -106.43 156.56 18.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.91 -174.584 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.401 ' CE1' ' HA3' ' A' ' 17' ' ' GLY . 31.2 p90 -139.72 162.34 35.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 172.314 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -119.76 147.62 44.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -178.433 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.6 p -57.96 -24.57 23.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.152 -179.144 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 49.3 pt -72.17 -18.89 19.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.386 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -97.48 14.44 26.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 58.7 t -101.85 127.45 55.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.1 -42.17 80.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 -175.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 -128.84 82.31 68.97 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.76 0.79 . . . . 0.0 110.943 177.281 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.74 -15.67 37.28 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.633 2.222 . . . . 0.0 112.358 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -74.86 -35.92 62.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 169.174 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 92.8 mt -100.09 -0.93 38.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.95 -175.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 18.8 tt -50.61 136.08 9.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.141 175.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -128.39 160.77 31.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.989 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.417 ' C ' ' N ' ' A' ' 44' ' ' ALA . 99.2 mttt -64.85 -176.46 0.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.781 171.592 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 57.6 p-10 -50.93 -12.65 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -178.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.417 ' N ' ' C ' ' A' ' 42' ' ' LYS . . . -53.34 -25.68 16.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 174.537 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -166.86 116.58 0.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.042 164.548 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 65.7 t -140.8 135.72 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 173.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.2 m -135.16 144.34 46.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.097 158.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 55.5 p90 -148.29 168.2 23.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -169.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -112.98 134.11 21.86 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.683 0.754 . . . . 0.0 110.815 172.325 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -78.32 148.64 24.06 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.664 2.243 . . . . 0.0 112.367 -174.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.1 t -155.11 163.02 40.83 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 175.577 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 85.4 m -131.8 129.58 40.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.081 -173.411 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.507 ' O ' ' HB2' ' A' ' 54' ' ' ASN . 60.0 t-20 -142.91 101.26 3.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 178.291 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.507 ' HB2' ' O ' ' A' ' 53' ' ' ASN . 71.9 m-20 74.96 -154.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -171.695 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -82.65 9.52 9.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -114.83 130.66 9.33 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.488 177.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 98.0 mt -80.69 145.02 31.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.756 0.313 . . . . 0.0 110.939 176.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.0 t -135.85 166.41 23.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 178.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -130.73 146.45 52.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.09 177.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -144.45 174.59 10.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.879 -176.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.45 54.27 8.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.055 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 93.0 t -79.02 131.38 34.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 -173.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -138.19 137.31 37.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -172.29 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 94.8 t -106.14 132.59 52.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.101 177.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.2 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 121.628 0.728 . . . . 0.0 111.111 -178.159 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.841 0.353 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.602 ' HA3' ' HE1' ' A' ' 48' ' ' PHE . . . -161.71 -173.8 30.81 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.623 -176.629 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.8 p -132.5 142.76 49.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.752 0.311 . . . . 0.0 111.193 177.516 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.9 mt -92.1 120.56 41.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 167.247 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 73.2 p -96.69 -22.82 16.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.036 -173.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 96.9 m -139.46 129.93 25.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.144 174.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -130.59 109.87 10.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.952 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -111.86 85.77 2.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 177.099 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.03 -39.6 90.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 -176.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -65.92 -25.63 67.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -178.474 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -99.83 -16.2 18.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.908 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.06 23.95 74.92 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.454 -175.283 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.2 m-30 -108.32 142.4 38.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.973 0.416 . . . . 0.0 110.931 -175.461 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.697 ' HA3' ' CZ ' ' A' ' 29' ' ' PHE . . . -141.94 157.33 26.35 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.496 169.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -134.56 139.76 45.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.839 0.352 . . . . 0.0 110.905 176.332 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.8 mt -126.19 139.05 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.197 -172.422 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -103.74 128.6 51.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.786 174.383 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.442 ' HB3' ' H ' ' A' ' 23' ' ' ASN . 98.1 m-20 -83.27 157.64 22.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.82 -171.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -53.22 -18.91 2.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.814 160.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.442 ' H ' ' HB3' ' A' ' 21' ' ' ASP . 95.7 m-20 -89.86 -11.32 42.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 177.179 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.08 1.45 65.03 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.434 170.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -89.18 143.6 26.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.871 0.367 . . . . 0.0 110.897 178.189 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 -97.54 131.84 43.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 176.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -132.17 147.91 52.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -176.426 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.464 ' O ' ' HA ' ' A' ' 58' ' ' SER . 39.5 t80 -95.16 146.39 24.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -177.032 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.697 ' CZ ' ' HA3' ' A' ' 17' ' ' GLY . 34.2 p90 -140.02 158.72 43.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 170.328 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -109.8 145.35 36.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 171.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.9 m -59.29 -23.42 24.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.177 179.243 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.2 mt -69.42 -26.81 32.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.145 174.349 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -92.94 7.06 45.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -178.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.616 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 96.9 t -100.6 135.37 36.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 -179.178 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.65 -42.09 91.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 -175.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -125.49 74.4 68.94 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.69 0.757 . . . . 0.0 110.893 176.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.616 ' HD3' ' O ' ' A' ' 34' ' ' VAL . 49.7 Cg_endo -70.28 -18.1 34.79 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 122.631 2.22 . . . . 0.0 112.369 179.106 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -73.07 -36.24 66.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.914 170.028 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.6 mt -97.89 -2.13 41.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -173.038 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 16.0 tt -63.46 137.02 25.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.198 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -138.22 169.5 17.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 -174.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -64.72 179.68 0.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.816 179.246 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 57.6 p30 -61.23 -2.26 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -176.349 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.32 -23.88 26.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.17 168.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -167.89 119.09 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.073 162.253 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.9 t -139.76 128.41 27.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 174.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 95.7 m -135.93 142.1 44.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.092 170.01 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.602 ' HE1' ' HA3' ' A' ' 5' ' ' GLY . 52.8 p90 -154.87 164.3 39.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.815 -175.229 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -92.22 143.02 26.84 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.649 0.737 . . . . 0.0 110.826 -178.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -56.47 131.39 45.43 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.685 2.257 . . . . 0.0 112.275 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.3 t -156.61 153.66 28.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 -175.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.9 t -150.49 140.88 22.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.077 174.129 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -138.19 79.1 1.72 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 -174.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 31.6 m120 70.97 -154.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 173.291 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -78.75 -20.14 50.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -176.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -99.51 106.27 3.17 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.52 173.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.8 mt -73.95 130.21 39.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.838 0.351 . . . . 0.0 110.87 -170.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.464 ' HA ' ' O ' ' A' ' 28' ' ' TYR . 89.8 p -129.96 162.38 28.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 178.22 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.549 ' HB3' ' HB3' ' A' ' 29' ' ' PHE . . . -128.5 147.26 50.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.121 -177.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -135.46 156.54 48.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -176.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.87 61.16 3.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.066 171.363 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 95.3 t -83.83 104.55 12.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.163 -178.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -101.85 139.63 37.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.96 -176.48 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 86.0 t -105.41 138.75 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.143 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.2 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-O 121.611 0.719 . . . . 0.0 111.176 -179.21 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 . . . . . 0 CA--C 1.527 0.058 0 CA-C-O 120.839 0.352 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.29 176.41 20.78 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.468 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 93.9 m -131.54 131.62 43.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.321 . . . . 0.0 111.174 175.226 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 97.1 mt -98.23 123.63 50.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 172.614 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.5 p -91.62 -29.71 16.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 -178.39 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.9 m -147.49 137.71 23.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.233 177.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 66.1 t90 -150.98 128.46 11.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.828 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -112.05 114.46 27.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 178.296 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.67 -48.99 78.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 178.014 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -74.58 -29.08 61.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -171.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -98.34 -25.12 14.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -169.509 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.13 33.61 49.19 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.485 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -111.07 133.26 53.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.888 0.375 . . . . 0.0 110.904 173.349 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -148.23 150.55 22.76 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.438 176.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -128.69 151.13 49.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.807 0.336 . . . . 0.0 110.877 -179.438 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 92.8 mt -129.59 136.08 60.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.221 177.055 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -97.99 121.01 39.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 172.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -82.29 165.92 19.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.846 -172.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.88 -20.06 61.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 171.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -86.08 -11.04 53.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 176.322 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.57 4.76 63.7 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.465 175.197 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -83.07 134.84 35.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.738 0.304 . . . . 0.0 110.864 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 -91.78 116.14 28.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 176.273 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.458 ' HG2' ' HB3' ' A' ' 57' ' ' LEU . 51.2 mtt85 -117.44 140.46 49.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 -175.553 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -95.11 134.92 37.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.96 177.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.51 ' HB3' ' HB3' ' A' ' 59' ' ' ALA . 34.6 p90 -129.54 164.83 22.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.843 -177.799 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.409 ' HB3' HG12 ' A' ' 32' ' ' ILE . 95.3 m-70 -109.25 143.42 38.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.796 173.73 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.2 m -62.51 -24.07 34.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.178 178.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.409 HG12 ' HB3' ' A' ' 30' ' ' HIS . 44.6 pt -75.63 -16.21 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.02 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -97.05 14.34 25.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.494 ' HA ' ' HB ' ' A' ' 62' ' ' VAL . 60.0 t -105.66 137.78 33.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 -179.332 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.18 -46.74 69.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.078 -177.508 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -138.11 82.45 24.6 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.64 0.733 . . . . 0.0 110.885 175.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.62 -14.44 44.79 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.669 2.246 . . . . 0.0 112.396 -178.241 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -71.24 -28.79 64.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 175.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 95.6 mt -97.4 -4.95 37.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 -172.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.4 mm -66.64 133.07 31.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 176.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.466 ' O ' ' HB2' ' A' ' 45' ' ' ALA . 99.3 mttt -124.24 156.34 37.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.881 177.37 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -49.18 -74.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -175.145 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -85.43 -28.42 25.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.886 -174.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -93.16 21.46 5.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 -170.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.466 ' HB2' ' O ' ' A' ' 41' ' ' LYS . . . -64.5 168.12 6.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.105 -172.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.3 m -106.98 -155.28 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 -171.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.0 t -107.58 168.68 9.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.089 -156.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -153.5 166.24 33.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -173.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -92.31 126.45 52.65 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.704 0.764 . . . . 0.0 110.881 172.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -72.85 151.26 50.88 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.683 2.255 . . . . 0.0 112.343 -174.358 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.9 t -164.95 173.95 11.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 178.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 86.9 m -141.82 138.14 31.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -128.12 159.8 33.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.876 176.339 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -74.39 -15.54 60.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.98 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -92.11 -14.36 29.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.836 177.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 147.78 169.78 15.28 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.499 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.458 ' HB3' ' HG2' ' A' ' 27' ' ' ARG . 96.1 mt -74.96 131.73 40.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.776 0.322 . . . . 0.0 110.961 -179.375 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.7 m -130.14 163.52 26.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -173.117 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.51 ' HB3' ' HB3' ' A' ' 29' ' ' PHE . . . -133.4 132.72 41.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.012 -178.72 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -134.38 166.21 23.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -177.424 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 56.29 56.81 5.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.121 177.105 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.494 ' HB ' ' HA ' ' A' ' 34' ' ' VAL . 93.9 t -77.42 122.71 32.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.22 179.336 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -119.35 125.3 48.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 -168.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 87.6 t -90.05 122.56 41.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 178.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 96.4 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.553 0.692 . . . . 0.0 111.161 177.721 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.806 0.336 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -137.24 178.03 19.32 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.435 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 90.8 m -134.91 131.59 37.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.842 0.354 . . . . 0.0 111.153 173.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 82.4 mt -98.6 125.0 52.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.172 170.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 80.6 p -90.56 -26.94 19.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.075 -175.316 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.1 t -150.07 140.71 22.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.155 176.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 40.4 t90 -149.99 124.84 9.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 177.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -114.99 107.48 15.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.923 178.141 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.09 -40.27 97.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 178.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -77.01 -35.24 57.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.795 -173.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -94.39 -25.61 16.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 -173.085 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.61 30.75 55.9 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.548 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -114.2 131.47 56.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.933 0.397 . . . . 0.0 110.909 172.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -152.26 154.64 25.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.471 176.193 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 19.2 m-30 -118.1 149.68 40.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.872 0.368 . . . . 0.0 110.891 177.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.7 mt -126.09 132.13 70.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.173 174.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -104.34 120.31 40.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 171.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -86.87 169.06 12.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -171.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.35 -22.26 66.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 171.331 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -84.47 -10.78 57.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.816 176.291 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.72 6.22 62.41 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.478 176.281 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -77.22 135.92 38.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.773 0.32 . . . . 0.0 110.78 -178.468 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -99.78 110.38 22.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 176.372 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 81.4 mtt85 -109.64 143.18 39.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.834 -176.243 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -99.67 131.78 45.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 169.352 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 1.02 ' HB3' ' HB3' ' A' ' 59' ' ' ALA . 37.1 p90 -131.49 159.18 38.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.841 -176.015 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 30.6 m80 -106.33 147.65 28.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 173.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.3 m -59.31 -23.27 24.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 177.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.9 pt -76.59 -18.28 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.157 177.255 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -94.54 8.02 43.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 60.3 t -104.91 140.16 23.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.095 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.24 -42.91 71.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -134.69 79.41 53.0 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.635 0.731 . . . . 0.0 110.909 175.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -65.89 -19.66 58.41 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.736 2.291 . . . . 0.0 112.316 -178.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -69.53 -28.11 65.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 176.234 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.8 mt -96.39 -5.71 39.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -174.409 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 24.1 mm -61.24 128.03 21.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.217 178.154 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.664 ' H ' ' HB2' ' A' ' 45' ' ' ALA . 74.7 mmtt -127.3 176.69 7.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.934 176.759 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -68.38 -82.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.88 173.147 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -84.21 -22.66 30.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.835 -175.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.98 -12.34 44.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.082 -165.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.664 ' HB2' ' H ' ' A' ' 41' ' ' LYS . . . -78.13 165.74 23.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.106 174.539 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.9 m -124.74 166.48 20.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 178.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.0 t -80.93 -168.14 1.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.166 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -157.31 178.53 10.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.856 -156.218 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -55.55 138.55 68.94 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.775 0.797 . . . . 0.0 110.85 -178.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -69.97 145.88 57.23 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.682 2.254 . . . . 0.0 112.376 -172.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.8 t -158.44 153.71 25.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.231 178.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.7 t -152.8 149.36 28.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.204 -178.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -135.29 152.84 51.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.92 177.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -75.62 -22.9 56.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 -177.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -85.98 -15.78 40.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 148.62 165.88 12.5 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.456 176.047 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.8 mt -71.89 127.96 34.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.352 . . . . 0.0 110.962 -177.24 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 94.7 p -147.69 162.53 38.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.839 175.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 1.02 ' HB3' ' HB3' ' A' ' 29' ' ' PHE . . . -120.2 134.57 55.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.065 -167.366 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -139.44 156.02 47.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 52.29 52.81 13.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.121 177.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.4 t -77.18 131.41 34.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.17 -175.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -117.75 125.93 51.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 -172.435 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 85.8 t -97.32 125.37 50.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 88.4 t . . . . . 0 C--N 1.33 -0.254 0 CA-C-O 121.572 0.701 . . . . 0.0 111.115 -179.628 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 . . . . . 0 CA--C 1.527 0.059 0 CA-C-O 120.79 0.328 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.45 172.16 35.37 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 177.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.458 HG23 ' HA ' ' A' ' 43' ' ' ASP . 96.0 m -129.88 136.41 49.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.787 0.327 . . . . 0.0 111.154 176.68 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 83.7 mt -89.42 124.98 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.175 -174.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 57.9 p -100.52 -21.42 15.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 177.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 84.8 m -139.3 132.15 29.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.166 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 17.3 t90 -142.49 118.55 10.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -114.8 88.87 2.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.891 177.254 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -62.18 -39.28 92.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -176.068 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -66.35 -24.88 66.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -178.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -99.26 -15.38 18.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.8 23.54 76.34 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.529 -175.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.9 m-30 -110.83 142.96 42.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.871 0.367 . . . . 0.0 110.901 -175.293 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.405 ' HA3' ' CZ ' ' A' ' 29' ' ' PHE . . . -143.13 156.5 26.51 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.495 172.626 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -129.38 144.75 51.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.826 0.346 . . . . 0.0 110.88 175.051 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 93.7 mt -129.48 135.43 61.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 -177.084 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -98.9 125.66 44.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 169.231 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -84.93 165.07 17.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.884 -169.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -55.22 -23.88 24.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 167.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -86.58 -12.98 47.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 176.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.79 4.37 63.59 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.485 174.378 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -80.9 139.12 36.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.774 0.321 . . . . 0.0 110.887 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -90.72 117.29 29.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 177.266 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 81.5 mtt85 -115.13 139.13 50.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -176.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -103.6 135.32 45.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.936 178.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.635 ' HB3' ' HB3' ' A' ' 59' ' ' ALA . 29.8 p90 -138.53 161.38 37.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.85 -176.392 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 71.2 m80 -106.29 145.59 31.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.795 174.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.5 m -63.32 -21.35 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.8 pt -74.01 -16.5 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.151 177.143 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -95.89 17.11 15.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 175.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.404 ' HA ' ' HB ' ' A' ' 62' ' ' VAL . 53.2 t -111.99 139.39 36.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.194 -179.027 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.47 -42.87 82.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.119 -177.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -137.56 84.46 22.88 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.582 0.706 . . . . 0.0 110.899 174.149 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -66.28 -15.28 47.64 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.725 2.283 . . . . 0.0 112.323 -175.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -69.58 -26.29 64.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 177.436 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 95.9 mt -98.24 0.15 45.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -171.025 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 89.6 mt -54.32 134.28 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 174.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.534 ' O ' ' HB2' ' A' ' 45' ' ' ALA . 99.2 mttt -134.78 156.47 48.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 175.056 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -60.04 -80.73 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.458 ' HA ' HG23 ' A' ' 6' ' ' THR . 99.5 m-20 -77.88 -25.06 48.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.989 -176.381 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.58 14.46 20.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.104 -169.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.534 ' HB2' ' O ' ' A' ' 41' ' ' LYS . . . -62.34 158.92 16.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 -169.739 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.491 HG21 ' HA ' ' A' ' 64' ' ' VAL . 19.0 m -100.11 -140.11 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.193 -176.41 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 58.9 p -115.56 158.33 22.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 -156.472 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 47.0 p90 -151.64 164.42 36.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.862 -172.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -102.88 128.66 27.33 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.661 0.743 . . . . 0.0 110.935 169.346 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -68.55 137.01 38.07 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.648 2.232 . . . . 0.0 112.37 -177.249 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 71.9 p -141.88 163.35 33.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.151 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 92.3 m -133.29 135.18 44.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.208 -173.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 36.0 m120 -127.59 163.96 23.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.91 175.324 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -69.03 -14.5 63.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 174.059 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -93.98 -6.46 45.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 179.064 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 138.04 178.98 16.59 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.49 178.234 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.7 mt -76.41 139.28 40.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.808 0.337 . . . . 0.0 110.96 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 93.1 p -142.2 169.17 18.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -172.428 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.635 ' HB3' ' HB3' ' A' ' 29' ' ' PHE . . . -127.72 144.57 51.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.06 -177.378 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -142.07 155.45 45.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -175.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 59.45 61.07 2.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.117 177.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.404 ' HB ' ' HA ' ' A' ' 34' ' ' VAL . 96.2 t -82.38 127.84 39.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.18 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -126.58 129.48 48.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -168.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.491 ' HA ' HG21 ' A' ' 46' ' ' VAL . 84.5 t -89.09 122.28 40.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.194 178.486 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 84.0 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 121.6 0.714 . . . . 0.0 111.131 177.281 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 . . . . . 0 CA--C 1.526 0.049 0 CA-C-O 120.848 0.356 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.73 176.3 34.07 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.438 177.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.4 m -129.18 131.73 47.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.83 0.347 . . . . 0.0 111.124 -177.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 85.5 mt -99.12 125.0 52.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.185 170.023 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 79.4 p -90.85 -27.28 18.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 -175.177 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.3 t -150.34 141.29 22.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.12 176.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.518 ' HE1' HG12 ' A' ' 31' ' ' VAL . 38.9 t90 -149.88 124.97 10.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 177.42 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -114.85 106.63 14.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 177.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.45 -40.03 95.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -77.95 -34.86 50.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.832 -173.471 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -93.54 -27.32 16.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -173.109 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.2 29.62 53.06 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.52 -179.142 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -113.93 132.39 55.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.892 0.377 . . . . 0.0 110.9 172.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -156.87 157.96 28.42 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.448 176.339 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -119.61 149.94 41.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.887 0.375 . . . . 0.0 110.9 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.2 mt -126.31 132.16 70.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.187 174.245 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -104.96 120.62 41.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.921 172.151 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -88.49 169.02 12.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 -171.026 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.52 -22.43 66.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.83 172.637 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -84.44 -10.57 57.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 177.123 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.13 1.65 64.79 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.525 177.371 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -69.88 140.88 53.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.739 0.304 . . . . 0.0 110.892 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -106.78 110.05 22.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 176.552 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 84.0 mtt85 -109.25 143.03 39.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.816 -174.309 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -100.42 132.48 45.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.929 168.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.998 ' HB3' ' HB3' ' A' ' 59' ' ' ALA . 34.6 p90 -132.57 160.04 37.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.845 -175.473 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -107.36 148.34 29.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 172.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.518 HG12 ' HE1' ' A' ' 10' ' ' TRP . 28.5 m -59.9 -23.17 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.201 177.048 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.1 pt -77.0 -18.36 14.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.102 177.231 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -94.16 6.78 47.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 177.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 57.7 t -104.47 139.24 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.13 179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.23 -42.04 72.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -134.66 79.71 52.38 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.585 0.707 . . . . 0.0 110.882 175.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.38 -18.75 55.49 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.694 2.263 . . . . 0.0 112.352 -178.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -69.8 -27.9 65.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 175.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.2 mt -96.19 -5.95 39.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -174.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.9 mm -60.22 128.04 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.161 177.178 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.649 ' H ' ' HB2' ' A' ' 45' ' ' ALA . 74.5 mmtt -129.2 175.38 8.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.828 176.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -67.45 -82.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 174.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -86.79 -21.48 26.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.956 -176.546 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -86.49 -15.0 41.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.136 -166.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.649 ' HB2' ' H ' ' A' ' 41' ' ' LYS . . . -75.87 166.07 24.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 174.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.3 m -125.06 166.07 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.096 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.4 t -80.04 -168.56 1.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -156.91 178.24 10.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -157.203 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -54.97 137.37 65.95 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.658 0.742 . . . . 0.0 110.827 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -69.28 146.55 63.57 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.622 2.215 . . . . 0.0 112.374 -172.537 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.9 t -158.57 154.75 27.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 178.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.3 t -154.31 152.26 30.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.094 -178.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -138.61 151.86 47.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 178.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -74.92 -20.0 59.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.949 -176.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -87.15 -8.07 57.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.872 178.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 138.18 166.41 10.67 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.54 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.4 mt -72.37 129.76 39.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.836 0.351 . . . . 0.0 110.921 -176.086 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 91.8 p -151.27 162.04 41.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 178.121 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.998 ' HB3' ' HB3' ' A' ' 29' ' ' PHE . . . -119.98 134.94 55.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.145 -166.657 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -139.93 155.58 47.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.903 179.198 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 52.27 53.21 12.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.119 177.069 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 99.0 t -78.64 131.67 33.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 -175.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -117.41 125.78 51.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -174.292 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 73.0 t -98.5 125.44 51.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.17 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 99.7 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 121.626 0.727 . . . . 0.0 111.177 -177.851 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.811 0.338 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.406 ' H ' ' HA ' ' A' ' 46' ' ' VAL . . . -145.21 175.27 24.88 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.475 177.494 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 97.1 m -132.08 137.07 47.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.861 0.363 . . . . 0.0 111.166 177.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.462 HG12 HG12 ' A' ' 19' ' ' ILE . 91.8 mt -89.95 124.73 42.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 170.119 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.7 p -90.79 -37.13 13.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 -173.377 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.3 p -140.86 148.09 39.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.146 174.037 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 38.2 t90 -150.11 124.85 9.78 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -119.78 107.64 13.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.832 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -63.86 -47.01 82.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.921 -178.19 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -73.66 -32.14 63.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 -171.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -97.5 -22.72 16.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 -174.473 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.38 36.18 45.39 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 176.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -113.84 130.18 56.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.964 0.412 . . . . 0.0 110.861 173.669 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -140.13 149.19 20.69 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 173.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -133.12 139.76 47.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.826 0.346 . . . . 0.0 110.823 -178.369 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.462 HG12 HG12 ' A' ' 7' ' ' ILE . 85.0 mt -125.72 137.7 56.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.213 -174.249 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -100.11 122.12 42.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 171.662 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -88.34 165.7 14.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 -171.384 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -58.3 -22.03 51.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 171.006 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -82.25 -13.17 57.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 176.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.22 4.8 62.59 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.518 174.196 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -86.09 140.51 30.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.804 0.335 . . . . 0.0 110.862 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 -96.94 111.47 23.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 175.126 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 66.1 mtt85 -120.31 146.15 46.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 -171.399 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -99.49 139.49 35.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 -175.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.828 ' HB3' ' HB3' ' A' ' 59' ' ' ALA . 26.1 p90 -133.68 159.11 41.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.349 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.44 ' HB3' HG12 ' A' ' 32' ' ' ILE . 93.2 m-70 -103.77 144.78 31.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.787 173.072 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.9 m -58.45 -23.76 23.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.168 176.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.44 HG12 ' HB3' ' A' ' 30' ' ' HIS . 42.4 pt -79.42 -17.14 13.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 177.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -94.73 12.52 27.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 178.324 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 61.4 t -100.12 134.44 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 175.487 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.02 -44.03 64.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.048 -178.624 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -130.88 81.17 67.93 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.634 0.73 . . . . 0.0 110.892 176.149 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -67.06 -17.92 51.29 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.727 2.285 . . . . 0.0 112.336 -178.131 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -70.86 -30.57 66.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 176.636 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 91.7 mt -92.44 -8.54 44.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -175.457 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.4 mm -58.42 127.67 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.144 177.396 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.572 ' HB2' ' HB3' ' A' ' 44' ' ' ALA . 99.2 mttt -138.24 155.53 48.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 171.773 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -42.57 -73.49 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.952 -175.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -95.09 -23.61 17.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.957 -174.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.572 ' HB3' ' HB2' ' A' ' 41' ' ' LYS . . . -83.91 -21.97 31.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.069 -162.808 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.56 ' HB2' ' H ' ' A' ' 41' ' ' LYS . . . -71.58 169.51 15.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.09 170.763 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.406 ' HA ' ' H ' ' A' ' 5' ' ' GLY . 32.6 m -126.48 168.82 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 -175.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.4 t -73.14 -166.6 0.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.115 -174.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -148.14 175.8 10.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -144.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -74.55 118.28 68.75 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.731 0.777 . . . . 0.0 110.907 176.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -55.81 137.13 77.65 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.726 2.284 . . . . 0.0 112.358 -177.038 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.444 HG21 ' HB3' ' A' ' 60' ' ' TYR . 45.6 p -140.83 157.99 44.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 172.707 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.0 t -146.04 139.72 26.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.129 176.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -126.37 168.12 14.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 178.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -73.34 -18.18 61.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.949 173.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -91.64 -12.31 34.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.831 178.213 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 143.71 -179.36 21.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.531 176.238 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.3 mt -79.04 139.92 38.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.781 0.324 . . . . 0.0 110.966 178.417 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 88.0 p -137.72 172.67 12.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.856 -177.712 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.828 ' HB3' ' HB3' ' A' ' 29' ' ' PHE . . . -122.75 140.62 52.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.042 178.276 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.444 ' HB3' HG21 ' A' ' 51' ' ' THR . 86.2 t80 -151.23 153.39 34.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.946 -175.02 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.44 54.88 7.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 -179.212 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 86.3 t -74.44 123.72 30.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 -177.011 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -123.14 129.95 52.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -173.676 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 71.9 t -98.96 125.61 52.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 78.4 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 121.58 0.705 . . . . 0.0 111.124 -179.362 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 . . . . . 0 N--CA 1.457 -0.118 0 CA-C-O 120.884 0.373 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -124.36 175.1 17.04 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.497 176.09 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 95.1 m -128.4 130.81 48.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.791 0.329 . . . . 0.0 111.228 176.066 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 95.7 mt -92.2 124.62 44.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.12 175.624 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.6 p -91.25 -28.73 17.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.158 -176.376 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.7 t -150.69 143.6 24.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.19 176.552 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 63.8 t90 -146.91 123.98 11.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -114.37 110.27 19.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -63.88 -46.14 86.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 177.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -75.32 -31.55 60.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -172.207 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -96.91 -25.39 15.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.825 -171.36 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.87 31.04 58.59 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.494 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -113.23 135.25 54.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.896 0.379 . . . . 0.0 110.932 173.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -149.24 151.38 23.52 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.472 175.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 16.6 m-30 -115.87 149.24 38.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.824 0.345 . . . . 0.0 110.916 176.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.6 mt -129.34 129.84 67.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.225 171.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -96.82 120.83 37.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.946 172.102 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -80.98 167.06 20.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.812 -173.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.11 -15.55 62.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 172.472 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -85.7 -11.4 53.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 174.21 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.96 6.11 59.35 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.48 173.109 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -86.58 133.2 33.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.771 0.32 . . . . 0.0 110.929 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 -95.47 111.98 23.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 176.226 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 70.4 mtt85 -119.19 148.22 43.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.892 -172.307 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -94.28 136.15 34.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.971 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.954 ' HB3' ' HB3' ' A' ' 59' ' ' ALA . 17.8 p90 -132.96 160.67 36.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -178.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 76.3 m80 -105.39 143.76 33.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.792 174.082 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.2 m -59.73 -23.65 26.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.204 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 45.2 pt -76.66 -15.65 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.109 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -96.97 18.23 15.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -177.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 57.3 t -108.5 136.39 44.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.173 176.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.64 -48.02 50.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.065 -177.496 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -135.05 79.89 49.5 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.559 0.695 . . . . 0.0 110.898 176.355 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -67.71 -16.97 47.49 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.658 2.238 . . . . 0.0 112.343 -178.192 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -68.51 -29.02 67.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 175.108 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.3 mt -93.86 -10.14 34.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 -178.023 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 40.2 mm -73.96 131.61 34.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 178.489 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.587 ' HB2' ' HB3' ' A' ' 44' ' ' ALA . 99.4 mttt -128.44 164.79 21.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.824 173.726 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -49.88 -69.97 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.985 -175.653 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -82.26 -28.78 31.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -176.284 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.587 ' HB3' ' HB2' ' A' ' 41' ' ' LYS . . . -92.12 13.32 19.28 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.079 -170.64 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.01 162.88 8.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.112 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.472 HG21 ' HA ' ' A' ' 64' ' ' VAL . 35.0 m -116.54 172.31 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 -176.511 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.0 t -83.19 -177.08 6.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 -177.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.423 ' HB3' HG22 ' A' ' 62' ' ' VAL . 45.4 p90 -152.55 166.78 30.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 -164.014 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -67.49 128.54 93.62 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.729 0.776 . . . . 0.0 110.844 176.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -66.65 141.58 60.86 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.659 2.239 . . . . 0.0 112.363 -173.561 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.0 t -159.67 157.57 29.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.8 t -149.02 140.3 23.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 -179.232 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -120.63 160.63 22.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.907 177.641 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -72.63 -19.59 61.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 175.036 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -89.2 -12.04 42.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 178.614 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 148.69 170.65 16.7 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.453 176.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.7 mt -78.79 141.83 37.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.84 0.352 . . . . 0.0 110.978 178.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 88.5 p -142.42 170.62 15.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.899 -174.432 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.954 ' HB3' ' HB3' ' A' ' 29' ' ' PHE . . . -119.47 139.85 51.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.072 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -147.95 143.58 27.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -173.717 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.16 63.44 2.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 178.471 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.423 HG22 ' HB3' ' A' ' 48' ' ' PHE . 89.0 t -71.73 119.69 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.121 174.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -113.8 118.93 35.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -166.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.472 ' HA ' HG21 ' A' ' 46' ' ' VAL . 85.0 t -92.84 125.16 45.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.117 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-O 121.563 0.697 . . . . 0.0 111.095 -179.362 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.873 0.368 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.42 176.88 34.48 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 178.192 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 93.2 m -130.36 131.62 45.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.784 0.325 . . . . 0.0 111.188 -179.233 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 88.6 mt -98.8 124.14 51.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.15 168.267 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.1 p -98.72 -24.75 14.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 -175.361 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 93.8 m -142.21 130.06 21.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.163 177.15 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 36.9 t90 -146.39 122.17 10.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 174.497 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -111.58 104.86 13.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 178.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -62.88 -40.59 98.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -178.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -76.04 -32.97 59.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 -174.023 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -98.06 -24.03 15.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -171.44 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.7 29.33 59.62 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.483 -177.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -109.98 120.57 42.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.893 0.378 . . . . 0.0 110.899 173.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -142.8 154.04 25.03 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.446 178.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -131.44 147.37 52.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.842 0.353 . . . . 0.0 110.848 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 91.3 mt -125.99 134.34 66.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.142 -179.592 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -103.02 121.78 43.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.939 172.399 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -89.16 168.77 12.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 -171.185 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.45 -22.4 66.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.82 172.308 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -83.63 -10.91 57.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.823 177.707 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.25 0.28 67.93 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.458 177.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -72.91 142.65 47.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.75 0.309 . . . . 0.0 110.874 178.421 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 72.5 m-80 -107.5 118.83 37.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.869 175.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.4 mtt85 -114.4 140.62 48.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.812 -175.587 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -99.49 133.08 44.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 171.674 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 1.109 ' HB3' ' HB3' ' A' ' 59' ' ' ALA . 38.0 p90 -134.75 161.7 34.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -175.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -108.14 150.14 27.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 172.133 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.7 m -59.12 -23.35 24.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.091 178.213 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.7 pt -76.88 -18.37 14.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.173 177.009 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -93.69 8.02 42.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 177.243 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 53.5 t -104.06 137.07 34.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.18 179.073 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.47 -41.07 73.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.043 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -134.6 80.66 50.06 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.628 0.728 . . . . 0.0 110.898 175.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.46 -18.31 54.54 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.666 2.244 . . . . 0.0 112.398 -178.387 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -69.81 -28.02 65.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.961 175.519 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 93.6 mt -94.99 -5.42 44.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.976 -174.41 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 22.5 mm -59.96 125.34 15.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.179 177.382 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.654 ' H ' ' HB2' ' A' ' 45' ' ' ALA . 74.5 mmtt -130.2 174.11 10.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 176.588 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -69.51 -83.71 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 175.153 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -85.2 -21.51 29.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.94 -176.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -85.67 -17.98 34.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.021 -166.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.654 ' HB2' ' H ' ' A' ' 41' ' ' LYS . . . -76.67 165.79 24.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 175.466 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.4 m -125.05 170.25 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.133 178.254 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.8 t -80.02 -168.86 1.78 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.161 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -156.87 178.48 10.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -156.172 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -53.96 134.54 57.82 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.698 0.761 . . . . 0.0 110.946 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -69.92 148.73 64.7 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.619 2.213 . . . . 0.0 112.349 -172.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.8 t -159.26 155.08 26.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.099 179.053 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.2 t -152.93 151.94 30.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.093 -178.298 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -144.64 149.33 35.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.505 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -75.19 -20.35 59.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 -175.265 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -86.81 -10.21 54.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 140.85 165.44 10.31 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.434 177.02 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.5 mt -72.65 129.85 39.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.846 0.355 . . . . 0.0 110.923 -176.56 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 92.4 p -148.59 160.25 43.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.882 177.27 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 1.109 ' HB3' ' HB3' ' A' ' 29' ' ' PHE . . . -119.32 136.59 54.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.064 -167.08 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -139.82 155.23 47.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 51.73 53.06 13.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.09 177.131 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 94.9 t -76.62 125.32 36.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.164 -175.123 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -117.24 127.67 54.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 -173.581 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 66.3 t -100.88 127.37 54.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 179.459 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 89.5 t . . . . . 0 C--N 1.33 -0.259 0 CA-C-O 121.545 0.688 . . . . 0.0 111.135 -177.609 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 . . . . . 0 N--CA 1.458 -0.053 0 CA-C-O 120.829 0.347 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -122.41 173.07 15.88 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.45 175.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.0 m -126.77 129.95 49.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.821 0.343 . . . . 0.0 111.186 174.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 90.2 mt -93.74 124.67 46.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.138 177.234 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.0 p -90.97 -26.94 19.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.165 -178.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.4 t -150.48 142.32 23.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.201 176.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 32.9 t90 -148.29 124.69 10.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.831 -178.158 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -120.01 107.57 13.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.834 178.53 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.75 -42.01 95.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 176.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -75.28 -31.73 60.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 -173.37 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -98.44 -24.25 15.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.967 -173.74 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.14 30.59 58.73 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.509 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -113.07 132.8 55.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.961 0.41 . . . . 0.0 110.945 172.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -149.75 151.98 23.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.423 175.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 16.0 m-30 -116.95 149.39 40.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.869 0.366 . . . . 0.0 110.838 176.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.9 mt -129.67 131.44 66.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.204 172.423 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -99.98 121.65 41.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 172.213 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -85.65 167.45 15.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -172.349 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -64.76 -19.65 65.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 172.684 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -82.78 -12.87 57.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.867 174.414 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.16 6.6 57.72 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.453 171.606 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -85.89 132.79 34.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.743 0.306 . . . . 0.0 110.904 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -95.1 110.93 22.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 174.671 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 69.9 mtt85 -116.53 146.12 42.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.879 -171.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -96.07 136.01 37.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.175 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 1.014 ' HB3' ' HB3' ' A' ' 59' ' ' ALA . 22.7 p90 -135.67 161.43 35.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.882 -178.403 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -105.08 144.78 31.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.802 174.355 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.2 m -59.85 -24.18 28.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.218 177.473 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 45.0 pt -76.61 -15.32 14.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 178.533 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -96.55 17.16 16.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 57.3 t -108.91 138.58 35.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 177.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.89 -47.57 58.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 -178.435 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -134.49 81.03 49.75 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.613 0.72 . . . . 0.0 110.959 175.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -67.01 -17.48 51.28 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.703 2.268 . . . . 0.0 112.359 -178.241 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -68.9 -28.24 66.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 176.349 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.7 mt -95.15 -9.91 32.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.913 -176.353 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 37.0 mm -71.12 128.23 34.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 178.497 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.532 ' HB2' ' HB3' ' A' ' 44' ' ' ALA . 74.5 mmtt -121.8 168.76 11.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 173.336 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -54.01 -69.86 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.483 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -82.87 -30.98 28.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -174.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.532 ' HB3' ' HB2' ' A' ' 41' ' ' LYS . . . -91.96 17.33 9.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 -171.193 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' A' ' 41' ' ' LYS . . . -64.77 163.32 14.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.068 -178.695 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.428 HG21 ' HA ' ' A' ' 64' ' ' VAL . 34.5 m -116.39 169.46 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 -173.768 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.8 t -85.82 -176.47 6.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.09 -175.549 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.4 ' HB3' HG22 ' A' ' 62' ' ' VAL . 37.0 p90 -154.92 168.65 26.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -164.805 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -72.0 135.84 82.58 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.635 0.731 . . . . 0.0 110.931 176.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -67.22 139.13 49.23 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 -174.307 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.4 t -159.67 155.34 25.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.167 178.581 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.8 t -147.98 142.34 26.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.148 -176.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -120.6 163.72 17.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.843 176.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -75.06 -18.67 60.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.948 174.342 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -90.2 -10.74 43.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 178.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 148.37 171.37 17.19 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.438 178.076 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.2 mt -77.89 141.19 39.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 0.0 110.994 178.404 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 88.2 p -140.33 169.6 17.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -174.205 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 1.014 ' HB3' ' HB3' ' A' ' 29' ' ' PHE . . . -121.8 139.81 53.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.074 -179.334 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -149.26 146.72 27.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 -174.353 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 56.12 60.39 3.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.142 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.4 HG22 ' HB3' ' A' ' 48' ' ' PHE . 84.3 t -73.84 120.36 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.179 176.214 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -114.21 121.02 42.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -167.477 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.428 ' HA ' HG21 ' A' ' 46' ' ' VAL . 88.3 t -92.83 123.3 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.158 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 88.1 t . . . . . 0 C--N 1.33 -0.241 0 CA-C-O 121.574 0.702 . . . . 0.0 111.181 178.951 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 25.4 p30 . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.82 0.343 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.83 174.71 30.07 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.459 178.727 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 96.4 m -130.96 130.68 43.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.803 0.335 . . . . 0.0 111.168 -178.219 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 97.1 mt -93.23 128.77 44.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.181 172.043 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.0 p -89.32 -47.8 7.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.146 -176.099 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 71.3 p -136.13 147.34 47.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.158 172.685 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 66.3 t90 -151.31 123.52 8.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.261 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -118.42 106.91 13.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.84 -177.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -62.73 -50.33 71.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.953 -175.591 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -70.33 -28.33 65.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.822 -172.623 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -97.28 -17.94 19.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -175.512 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.11 42.22 29.77 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.514 174.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -120.61 143.62 48.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.896 0.379 . . . . 0.0 110.96 175.455 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -149.63 147.48 17.83 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.426 167.285 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -132.49 142.11 49.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.843 0.354 . . . . 0.0 110.892 -177.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 95.5 mt -124.19 136.68 59.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.258 -175.373 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -102.17 120.77 41.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 176.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -85.36 168.25 14.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 -173.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.61 -20.16 63.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 172.528 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -83.85 -12.89 54.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.801 175.042 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.12 4.82 62.74 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 173.473 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -81.2 136.92 35.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.776 0.322 . . . . 0.0 110.896 179.202 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -97.67 111.42 23.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 176.34 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 71.7 mtt85 -115.73 145.17 43.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.817 -172.188 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -94.26 138.89 31.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 178.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.577 ' HB3' ' HB3' ' A' ' 59' ' ' ALA . 41.5 p90 -132.27 160.74 35.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.891 -178.6 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.471 ' HB3' HG12 ' A' ' 32' ' ' ILE . 80.0 m80 -106.69 142.13 36.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 172.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.6 m -64.4 -22.0 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.093 178.424 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.471 HG12 ' HB3' ' A' ' 30' ' ' HIS . 46.0 pt -75.78 -17.22 15.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 177.593 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -93.82 17.8 11.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.998 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.503 ' HA ' ' HB ' ' A' ' 62' ' ' VAL . 71.6 t -111.46 136.82 46.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.159 -178.142 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.9 -45.32 74.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.072 -177.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -138.65 82.43 21.7 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.637 0.732 . . . . 0.0 110.931 175.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.58 -14.46 44.94 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.743 2.295 . . . . 0.0 112.337 -177.675 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -70.54 -28.88 65.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.918 177.039 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.6 mt -95.66 -6.42 40.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.961 -173.33 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 38.2 mm -62.66 135.37 27.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 177.563 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.55 ' O ' ' HB2' ' A' ' 45' ' ' ALA . 99.4 mttt -128.0 155.04 44.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 175.225 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -51.9 -72.75 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -174.239 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -84.98 -29.32 25.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.86 -176.125 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.58 22.86 4.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.115 -172.49 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.55 ' HB2' ' O ' ' A' ' 41' ' ' LYS . . . -65.37 170.17 5.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.079 -171.541 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.411 HG21 ' HA ' ' A' ' 64' ' ' VAL . 35.9 m -106.43 -155.06 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 -173.71 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.0 t -113.72 163.22 15.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.166 -156.165 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -152.66 165.75 34.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.861 -168.625 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -98.52 127.51 35.75 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.692 0.758 . . . . 0.0 110.892 169.539 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -69.1 133.88 27.93 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.637 2.225 . . . . 0.0 112.36 -177.214 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 81.8 p -140.2 160.92 38.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.187 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.9 m -132.67 135.34 45.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.109 -174.113 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -127.28 169.57 13.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.877 176.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -69.47 -14.81 63.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 174.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -94.68 -7.33 41.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 135.56 -174.91 21.06 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.469 178.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.9 mt -79.59 141.38 36.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.81 0.338 . . . . 0.0 110.976 -179.531 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 87.9 p -144.42 170.16 16.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -172.726 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.577 ' HB3' ' HB3' ' A' ' 29' ' ' PHE . . . -124.17 143.18 50.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.022 -176.541 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -141.87 153.98 44.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -176.399 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 57.51 59.35 3.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.204 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.503 ' HB ' ' HA ' ' A' ' 34' ' ' VAL . 91.0 t -78.81 124.7 37.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.127 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -120.2 128.23 53.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.874 -171.036 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.411 ' HA ' HG21 ' A' ' 46' ' ' VAL . 91.9 t -89.04 122.38 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.208 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 97.3 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 121.655 0.74 . . . . 0.0 111.132 176.405 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 . . . . . 0 N--CA 1.46 0.072 0 CA-C-O 120.937 0.399 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -160.05 -167.91 21.28 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.495 -176.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.7 t -147.0 136.99 23.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.773 0.32 . . . . 0.0 111.153 176.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 89.5 mt -82.91 126.15 40.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.104 174.359 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.7 p -92.2 -29.93 16.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.194 -169.411 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.3 t -159.59 147.75 17.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 178.397 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 43.9 p90 -139.85 125.32 19.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.957 176.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -109.24 101.72 10.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.837 -176.329 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -63.64 -35.63 81.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -177.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -68.08 -31.17 70.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.814 -176.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -100.34 -18.83 16.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -177.048 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.05 14.6 78.78 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.445 -177.43 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -112.62 155.43 24.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.941 0.4 . . . . 0.0 110.863 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -150.27 168.66 30.24 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.47 171.399 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.428 ' CE2' ' HB3' ' A' ' 28' ' ' TYR . 94.5 m-85 -129.59 139.96 51.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.847 0.355 . . . . 0.0 110.844 -178.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.8 tt -134.39 139.54 47.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.06 -172.442 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -94.02 124.88 38.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 178.233 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -79.78 160.11 26.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 -175.034 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 50.8 tt0 -55.71 -23.18 27.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 167.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -85.29 -9.43 57.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 178.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.86 3.68 65.82 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.56 175.539 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -83.92 149.91 26.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.912 0.387 . . . . 0.0 110.874 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 -100.27 115.39 29.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 175.521 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 67.5 mtt85 -120.32 144.9 47.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -177.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.428 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 32.1 p90 -106.84 152.18 24.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 -177.155 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -146.83 158.53 43.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.931 -179.402 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 66.6 t-80 -110.97 147.34 34.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 171.253 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.8 t -51.12 -40.3 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.103 -179.066 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 85.8 mt -68.72 -28.24 39.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.059 178.252 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -84.89 1.65 46.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.99 -176.315 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.642 HG13 ' HB ' ' A' ' 62' ' ' VAL . 95.5 t -107.82 135.44 46.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.144 -179.305 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.1 -42.24 76.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.052 -177.127 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.444 ' HA ' HD22 ' A' ' 36' ' ' ASN . 9.5 m120 -78.27 154.29 79.53 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.603 0.716 . . . . 0.0 110.842 175.073 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.416 ' C ' ' H ' ' A' ' 39' ' ' LEU . 43.8 Cg_endo -70.69 169.01 21.13 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.743 2.295 . . . . 0.0 112.358 -175.216 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 49.1 p30 -70.57 9.66 0.61 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 -177.236 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.416 ' H ' ' C ' ' A' ' 37' ' ' PRO . 95.5 mt -82.41 -2.64 53.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 174.501 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.517 HD11 HG11 ' A' ' 34' ' ' VAL . 33.4 pt -91.85 14.42 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 -179.602 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.886 ' O ' ' HD2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -80.03 98.43 7.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -178.2 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -171.26 165.3 7.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.954 -173.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -74.77 -30.98 61.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.828 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.91 -6.12 55.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 -173.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.38 154.93 36.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.084 177.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.0 m -119.57 172.52 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.221 -173.228 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.2 t -100.24 -163.34 1.02 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.091 -172.37 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -165.87 172.54 11.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 -156.002 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -55.25 129.96 68.49 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.644 0.735 . . . . 0.0 110.886 178.709 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -76.34 153.67 35.76 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.64 2.226 . . . . 0.0 112.359 -172.357 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 59.0 p -136.42 156.92 47.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 174.266 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 85.4 m -133.36 130.99 39.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.196 -175.039 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 26.5 p30 -133.88 -178.53 5.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 173.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -73.51 -16.85 61.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -174.312 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -92.8 -7.23 47.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -177.76 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 135.02 -173.01 21.79 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.455 178.565 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.0 mt -79.71 138.86 37.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.863 0.363 . . . . 0.0 110.809 178.785 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 98.8 p -144.58 172.25 13.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.847 -169.605 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -132.28 135.41 46.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.151 177.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -125.79 154.77 42.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.012 177.516 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.02 45.53 27.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.072 174.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.642 ' HB ' HG13 ' A' ' 34' ' ' VAL . 97.0 t -73.25 124.95 31.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.119 -170.231 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -115.69 131.8 56.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -176.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 93.7 t -108.57 133.29 54.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.127 -177.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.8 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 121.627 0.727 . . . . 0.0 111.158 -171.884 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.897 0.38 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -161.51 -166.63 20.62 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.426 176.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.2 t -146.93 139.71 25.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.801 0.334 . . . . 0.0 111.105 174.141 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 95.1 mt -83.85 125.01 40.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.069 176.425 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 80.7 p -93.88 -29.84 15.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 -170.219 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.1 t -157.63 154.87 29.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 176.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 32.8 t-105 -139.87 125.12 18.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -176.397 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -112.12 85.66 2.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.8 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -62.1 -36.55 82.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -177.458 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -65.69 -26.16 67.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -102.58 -13.48 17.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.93 23.1 77.14 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.476 -178.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -116.0 154.37 29.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.892 0.377 . . . . 0.0 110.864 -177.155 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -143.76 157.36 27.02 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.461 166.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.494 ' CE2' ' HB3' ' A' ' 28' ' ' TYR . 73.1 m-85 -123.61 136.94 54.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.871 0.367 . . . . 0.0 110.87 -178.724 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.9 tt -133.46 138.17 51.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 -171.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -96.47 124.9 40.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -178.412 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -85.09 152.29 23.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.976 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -69.6 -7.29 37.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.838 171.437 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -83.18 -10.94 58.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 171.314 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.16 1.03 59.61 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.456 172.226 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -97.66 141.57 30.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.891 0.377 . . . . 0.0 110.833 178.325 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -97.3 126.91 42.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.949 175.131 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 75.9 mtt85 -124.39 144.49 50.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -175.346 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.494 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 43.5 p90 -110.52 152.03 26.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 -178.635 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -148.35 156.56 42.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.9 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 66.0 t-80 -108.03 147.18 31.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 176.285 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 66.9 t -53.15 -38.29 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.161 -179.496 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 90.0 mt -73.21 -28.99 26.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.101 178.062 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -88.72 5.43 43.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 -171.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.9 m -124.27 156.78 31.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.55 -42.54 52.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.078 -174.192 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.462 ' HB3' HG21 ' A' ' 40' ' ' ILE . 1.0 OUTLIER -85.92 150.26 52.5 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.582 0.706 . . . . 0.0 110.865 -179.55 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.403 ' C ' ' H ' ' A' ' 39' ' ' LEU . 55.4 Cg_endo -76.0 177.85 8.21 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.752 2.302 . . . . 0.0 112.327 -170.512 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 53.3 p30 -70.05 7.96 0.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.956 -177.489 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.403 ' H ' ' C ' ' A' ' 37' ' ' PRO . 96.2 mt -80.05 -3.98 50.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.947 173.78 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.462 HG21 ' HB3' ' A' ' 36' ' ' ASN . 36.8 pt -89.55 12.59 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 -179.18 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.804 ' O ' ' HD2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -80.02 98.68 7.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -170.5 165.02 8.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 -177.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -73.06 -33.05 65.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -178.085 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -84.68 -0.15 52.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 -173.315 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.15 157.64 21.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.222 178.576 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.5 m -115.98 166.69 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.116 -171.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.0 t -101.54 -164.08 1.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 -175.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -163.72 171.56 15.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.952 -159.164 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -53.67 128.95 54.21 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.637 0.732 . . . . 0.0 110.893 177.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -77.3 154.7 32.31 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.654 2.236 . . . . 0.0 112.392 -171.035 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 64.7 p -136.47 159.69 41.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.122 175.387 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.0 m -134.98 130.15 35.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.167 -176.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 27.9 p30 -130.73 -174.32 3.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 175.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -74.8 -14.58 60.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.834 -175.62 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -93.82 -5.0 49.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 126.12 -164.87 19.54 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.463 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 94.4 mt -78.12 139.69 39.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.871 0.367 . . . . 0.0 110.846 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 89.5 p -146.88 173.62 12.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -172.649 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -132.76 136.36 46.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -128.04 155.61 44.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 177.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.0 45.64 25.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 174.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 93.5 t -79.31 127.74 38.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.199 -175.565 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -130.11 144.17 51.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.846 -178.661 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 98.7 t -96.21 129.94 45.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 -178.66 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 22.3 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.671 0.748 . . . . 0.0 111.143 -174.248 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 29.7 m120 . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.828 0.346 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.716 ' HA3' HD11 ' A' ' 19' ' ' ILE . . . -121.08 162.38 14.83 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.558 -178.443 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 93.8 m -120.43 140.52 51.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.744 0.307 . . . . 0.0 111.079 172.527 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.427 HD11 ' HB2' ' A' ' 10' ' ' TRP . 18.7 tt -74.62 134.06 30.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.216 -178.197 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.418 HG22 HG23 ' A' ' 9' ' ' THR . 91.6 m -102.82 -55.14 2.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.08 164.043 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.418 HG23 HG22 ' A' ' 8' ' ' THR . 72.7 p -139.63 152.9 47.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.128 171.458 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.427 ' HB2' HD11 ' A' ' 7' ' ' ILE . 17.3 t90 -127.92 120.56 27.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 173.298 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -110.64 82.39 1.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 177.151 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.76 -42.05 97.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.962 -173.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -69.4 -23.68 63.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.802 -176.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -96.97 -18.43 19.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.929 -179.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.99 33.64 54.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.532 -177.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -136.55 159.65 41.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.812 0.339 . . . . 0.0 110.841 178.097 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -157.09 168.94 34.12 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.508 170.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -114.95 136.64 52.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.766 0.317 . . . . 0.0 110.88 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.716 HD11 ' HA3' ' A' ' 5' ' ' GLY . 7.3 tp -124.54 135.67 63.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 -171.759 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -97.67 122.82 41.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 172.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 22' ' ' GLU . 57.0 t0 -78.05 146.91 35.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.946 179.004 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.441 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 94.3 mt-10 -57.27 -21.66 36.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 171.378 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 73.8 m-80 -80.88 -7.2 59.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.954 176.583 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.19 -0.11 68.51 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.463 177.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -86.88 130.23 34.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.798 0.332 . . . . 0.0 110.857 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 73.4 m-80 -94.18 128.93 40.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 178.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 96.2 mtm-85 -134.06 160.03 38.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.817 -174.301 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -95.63 134.29 38.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 177.725 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.403 ' HD1' ' HA ' ' A' ' 29' ' ' PHE . 2.0 m-30 -109.96 134.35 52.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.877 176.454 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -105.35 143.26 33.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 176.142 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.6 p -57.27 -25.4 23.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.18 177.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.9 mt -76.66 -31.6 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 175.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -94.46 9.82 36.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.971 -168.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.8 m -108.02 148.22 12.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.089 175.116 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.2 -34.97 78.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.125 -177.63 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.418 ' HB3' ' HB2' ' A' ' 39' ' ' LEU . 98.6 m-20 -107.88 85.39 2.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.631 0.729 . . . . 0.0 110.912 174.53 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -68.64 -60.69 0.08 OUTLIER 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.655 2.237 . . . . 0.0 112.347 178.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -66.79 -30.77 71.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 -177.135 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.418 ' HB2' ' HB3' ' A' ' 36' ' ' ASN . 91.3 mt -97.32 15.75 22.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 18.8 tt -56.01 132.7 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 176.229 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -138.54 176.37 8.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.929 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -39.82 130.32 1.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 172.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -74.25 3.84 6.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.817 -174.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.12 -5.31 17.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.113 177.498 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -148.33 81.98 1.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 171.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.0 m -140.54 160.02 24.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.155 177.173 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.2 t -140.41 144.9 36.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 169.311 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -154.87 170.01 22.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -167.65 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -110.67 134.03 21.02 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.611 0.72 . . . . 0.0 110.826 179.149 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.73 140.44 39.02 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.69 2.26 . . . . 0.0 112.347 -178.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 70.8 p -140.95 162.55 35.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 178.379 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.2 m -127.43 129.58 47.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.157 -178.335 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -120.68 99.99 6.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 175.304 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 59.98 -120.04 0.93 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -173.585 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -96.58 4.59 51.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 177.606 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -106.08 137.35 13.77 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.454 -177.475 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 99.4 mt -84.26 141.66 30.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.837 0.351 . . . . 0.0 110.866 177.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 78.4 p -147.4 175.73 10.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 176.479 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -148.46 142.64 26.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.13 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -140.05 175.88 9.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.991 -178.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 59.71 54.13 4.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.079 -172.179 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 52.8 t -91.89 105.43 16.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.133 -175.479 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -105.18 136.57 44.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -177.242 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 94.5 t -85.32 125.76 40.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.099 177.623 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 29.1 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 121.614 0.721 . . . . 0.0 111.09 -170.033 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 17.0 p30 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.89 0.376 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -172.33 -163.45 26.21 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.48 -175.195 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.0 t -130.35 141.56 50.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 0.0 111.138 -179.579 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 87.8 mt -83.37 124.96 40.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.142 -172.536 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 78.4 p -103.49 -28.9 11.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.226 -178.476 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 89.4 m -148.45 125.0 11.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.229 174.531 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -99.19 135.47 40.54 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.87 -175.64 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.627 ' CD2' ' O ' ' A' ' 11' ' ' PHE . 45.5 p90 -80.03 80.71 6.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.977 178.724 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -69.06 -68.83 0.37 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -178.622 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -100.21 -33.47 10.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 -174.499 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -90.4 -23.09 21.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -158.427 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.73 23.64 66.66 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.541 -175.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.436 ' C ' ' HB3' ' A' ' 11' ' ' PHE . 87.0 m-85 -128.71 116.2 19.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.863 0.363 . . . . 0.0 110.825 171.661 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -133.95 174.23 20.93 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 175.121 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -135.55 144.03 46.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.788 0.328 . . . . 0.0 110.871 -176.264 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.5 tp -130.33 136.53 58.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.181 -179.265 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -100.07 119.97 39.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 176.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 48.8 p30 -94.54 -178.82 4.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 -170.02 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -64.28 -20.2 65.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.385 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -90.13 -9.47 48.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -176.205 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.58 7.27 65.11 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.396 177.137 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -90.07 168.21 12.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.83 0.347 . . . . 0.0 110.863 -178.256 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -115.02 116.35 28.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 178.619 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 68.2 mtt85 -113.66 155.01 26.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -178.555 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -82.38 138.23 34.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.996 -172.646 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.6 m-30 -109.17 132.49 54.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 169.49 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -134.46 144.41 48.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.818 175.756 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.6 p -56.91 -28.98 29.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.076 -177.098 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.415 HG13 ' HG3' ' A' ' 33' ' ' LYS . 47.9 pt -77.79 -18.45 13.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.129 179.176 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.439 ' HB3' ' HA ' ' A' ' 60' ' ' TYR . 97.3 mttt -105.32 -4.17 21.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.329 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.478 HG22 ' HB ' ' A' ' 62' ' ' VAL . 86.1 t -106.51 123.38 61.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 177.493 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.81 -40.32 63.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 -171.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -85.06 155.64 60.71 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.646 0.736 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_exo -54.61 140.28 75.9 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.759 2.306 . . . . 0.0 112.362 -170.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 58.4 p30 -65.68 -5.29 8.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.842 174.076 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 98.4 mt -85.52 -8.78 58.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.955 175.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.3 mm -108.84 112.46 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.109 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.493 ' O ' ' HB2' ' A' ' 42' ' ' LYS . 65.6 pttt -130.64 154.1 48.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.972 179.535 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 41' ' ' LYS . 84.4 tttt 173.72 109.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.917 178.251 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 57.2 p-10 -74.55 -7.32 52.72 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.837 -174.074 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.438 ' HB3' ' HE2' ' A' ' 42' ' ' LYS . . . -80.83 -7.22 59.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.054 -176.753 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -166.93 125.76 1.4 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.042 176.438 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.0 p -162.54 145.0 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.095 169.181 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 58.4 m -132.03 140.62 48.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.102 178.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -154.75 168.14 27.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -171.069 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -107.8 127.4 27.78 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.651 0.738 . . . . 0.0 110.915 172.539 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -81.55 158.71 19.34 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.665 2.244 . . . . 0.0 112.294 -173.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.1 p -135.58 170.79 15.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 171.669 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.4 m -140.88 122.43 15.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 169.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' ' 56' ' ' GLY . 57.3 m-80 -120.29 162.89 18.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -176.581 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -67.48 -26.85 66.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 175.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -96.14 -10.28 28.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.427 ' O ' ' HB2' ' A' ' 53' ' ' ASN . . . 138.36 148.44 5.33 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.474 175.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.841 ' H ' HD13 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -71.75 157.11 38.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.841 0.353 . . . . 0.0 110.888 -172.654 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 85.7 p -148.59 176.68 10.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 178.086 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -130.44 147.49 52.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.129 -176.49 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.439 ' HA ' ' HB3' ' A' ' 33' ' ' LYS . 26.0 p90 -145.09 174.08 11.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.943 179.42 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.14 49.44 17.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.082 -178.045 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.478 ' HB ' HG22 ' A' ' 34' ' ' VAL . 50.9 t -90.1 133.52 31.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.084 -171.752 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -123.44 124.93 43.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.949 175.423 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 97.5 t -111.69 136.51 47.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 174.581 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.7 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.629 0.728 . . . . 0.0 111.207 -170.471 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.3 mtt . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.796 0.331 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -135.91 85.19 2.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.149 -179.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 66.7 mtt -119.11 155.75 30.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -174.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -101.96 152.78 20.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -178.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.456 ' HA3' ' HE1' ' A' ' 48' ' ' PHE . . . -169.42 -171.19 34.82 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.466 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.9 t -140.15 148.87 42.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.77 0.319 . . . . 0.0 111.106 -176.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 94.6 mt -80.2 123.2 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 177.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.0 p -101.06 -33.5 10.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.196 -177.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.3 m -142.34 146.3 34.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 174.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 63.1 t-105 -140.07 126.61 20.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 -175.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -115.17 84.92 2.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 175.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -62.7 -26.0 68.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.91 -176.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -70.41 -30.09 66.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 177.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -102.92 -10.74 18.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -177.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.15 34.61 51.4 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.501 170.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -156.53 168.79 26.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.932 0.396 . . . . 0.0 110.841 170.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -148.85 -176.61 22.35 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 174.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -117.71 137.09 52.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.813 0.339 . . . . 0.0 110.893 -173.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 98.3 mt -134.47 139.94 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 -177.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -89.59 121.92 32.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -177.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -74.95 146.76 41.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.821 -177.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -51.57 -22.0 2.95 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 170.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 75.1 m-80 -89.43 -4.57 57.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -178.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.34 3.71 64.85 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.514 177.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -86.11 124.92 33.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.841 0.353 . . . . 0.0 110.837 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -94.05 109.61 21.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.951 178.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -138.63 163.97 30.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 -172.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -108.36 146.75 32.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -171.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -126.96 145.8 50.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.92 175.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -104.42 146.24 29.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -173.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.4 m -60.03 -25.23 32.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.085 -176.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 86.6 mt -69.72 -29.26 40.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 174.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -86.49 4.11 41.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 -176.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 98.2 t -98.53 125.89 51.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.97 -38.9 79.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 -178.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -69.45 152.16 96.5 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.625 0.726 . . . . 0.0 110.871 170.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -53.0 137.86 62.01 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.645 2.23 . . . . 0.0 112.353 -174.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 59.1 p30 -66.95 -5.32 12.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.845 176.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.2 mt -89.97 -5.29 56.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 177.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 87.8 mt -119.96 114.52 44.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 -178.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -133.77 149.7 51.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.419 ' HG3' ' H ' ' A' ' 44' ' ' ALA . 56.5 tptt -167.79 134.99 2.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 172.079 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 57.4 p-10 -87.03 0.3 55.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 -167.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.449 ' O ' ' HB2' ' A' ' 45' ' ' ALA . . . -84.49 -4.59 59.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.071 -165.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 44' ' ' ALA . . . 174.85 126.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 -176.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 92.2 t -135.63 145.62 31.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.073 171.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 89.9 m -120.95 132.02 54.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.177 168.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.456 ' HE1' ' HA3' ' A' ' 5' ' ' GLY . 51.4 p90 -155.32 166.71 32.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -166.04 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -96.85 143.94 27.0 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.606 0.717 . . . . 0.0 110.908 173.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -64.33 140.72 71.7 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.699 2.266 . . . . 0.0 112.353 178.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.7 t -160.8 178.55 9.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.13 -170.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 57.1 p -132.35 173.33 11.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 170.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 51.1 p30 -40.08 156.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 169.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 50.6 p-10 -76.91 11.58 1.7 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 -167.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -85.77 -28.28 24.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 173.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -112.33 -103.57 2.67 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.519 169.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.3 mt -73.96 149.78 41.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.806 0.336 . . . . 0.0 110.918 -170.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 97.5 p -104.47 162.99 12.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 178.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -130.5 145.64 51.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.096 -178.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -159.46 166.62 30.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 177.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.46 53.99 9.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.092 179.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 95.3 t -88.04 140.12 16.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.159 172.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -125.45 123.31 38.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -174.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 92.7 t -106.11 133.47 50.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.185 175.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.432 ' HB ' ' HB3' ' A' ' 45' ' ' ALA . 88.3 t -75.41 124.84 89.25 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.644 0.735 . . . . 0.0 111.176 -169.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -77.24 168.7 22.64 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.733 2.289 . . . . 0.0 112.328 -175.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 95.1 mt -105.9 35.43 2.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.922 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 54.67 40.76 32.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 -176.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -167.93 140.01 3.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 -178.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 56.8 p-80 -159.36 165.53 33.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.814 179.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -130.18 146.01 51.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 175.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -99.31 133.6 43.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -132.03 165.43 24.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.833 -176.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 65.9 t-80 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.801 179.731 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.5 mmm . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.751 0.31 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.79 85.61 1.77 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.102 178.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 62.8 mtt -112.92 153.79 27.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.848 -172.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -103.96 149.75 24.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 -174.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -160.03 -177.55 33.22 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.506 -178.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.8 t -136.44 149.1 48.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.751 0.31 . . . . 0.0 111.126 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.416 HG13 HG21 ' A' ' 46' ' ' VAL . 94.1 mt -80.98 121.11 33.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.075 178.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.7 m -100.37 -37.91 8.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.128 -176.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 89.9 m -138.84 140.15 38.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.183 -177.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 40.9 t-105 -142.06 126.74 18.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.978 -175.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -117.62 89.14 3.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.861 170.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -62.43 -25.34 67.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.89 -176.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -69.55 -28.88 66.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -103.21 -13.49 16.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.91 -178.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.42 32.68 68.08 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.496 -174.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.429 ' CZ ' ' HB3' ' A' ' 28' ' ' TYR . 86.7 t80 -143.01 135.11 27.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.928 0.394 . . . . 0.0 110.895 -167.149 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -151.5 -178.78 26.6 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.5 -173.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -134.87 135.01 41.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.775 0.321 . . . . 0.0 110.939 -173.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 92.4 mt -129.94 136.27 59.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.16 -171.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -106.07 122.2 45.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.948 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -82.1 139.39 34.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.833 177.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.68 -13.04 52.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 176.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -94.48 7.43 45.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 177.104 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.6 -1.16 75.14 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.535 171.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -85.45 90.86 8.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.858 0.361 . . . . 0.0 110.911 178.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -101.66 112.73 25.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.964 -173.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.444 ' HE ' ' HA ' ' A' ' 52' ' ' THR . 88.6 mmt-85 -139.07 156.84 46.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 -163.489 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.429 ' HB3' ' CZ ' ' A' ' 16' ' ' PHE . 88.4 m-85 -89.99 141.08 29.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 174.122 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -134.2 150.28 51.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.888 -178.021 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -110.16 147.91 32.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 177.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.4 m -59.18 -25.29 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.052 -176.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.1 mt -66.87 -29.93 47.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.148 176.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -86.09 5.17 34.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -176.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.46 ' HA ' ' HB ' ' A' ' 62' ' ' VAL . 54.6 t -94.67 120.19 43.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.045 -179.241 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.8 -40.13 76.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.093 -178.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -68.52 156.48 90.52 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.616 0.722 . . . . 0.0 110.886 170.04 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -49.72 126.78 17.17 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.625 2.217 . . . . 0.0 112.369 -175.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 58.9 p30 -67.82 -4.7 13.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.817 176.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.7 mt -87.56 -5.72 58.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.825 176.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 89.2 mt -119.36 114.18 43.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.094 -178.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -129.0 142.17 51.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.861 176.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.423 ' HG3' ' H ' ' A' ' 44' ' ' ALA . 56.3 tptt -169.13 130.49 1.16 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.916 173.065 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 56.3 p30 -81.06 4.37 20.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.86 -171.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.509 ' O ' ' HB2' ' A' ' 45' ' ' ALA . . . -81.11 -4.89 56.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.104 -170.542 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.509 ' HB2' ' O ' ' A' ' 44' ' ' ALA . . . 173.95 125.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.169 178.64 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.416 HG21 HG13 ' A' ' 7' ' ' ILE . 53.6 t -135.08 144.96 32.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.069 170.514 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.1 m -127.59 137.25 52.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.151 169.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 42.5 p90 -161.34 171.81 17.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -173.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -91.0 146.74 34.28 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.598 0.713 . . . . 0.0 110.917 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -63.12 141.66 83.97 Favored 'Trans proline' 0 N--CA 1.464 -0.227 0 C-N-CA 122.692 2.262 . . . . 0.0 112.433 174.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.6 t -164.01 173.02 13.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.179 -167.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.444 ' HA ' ' HE ' ' A' ' 27' ' ' ARG . 61.6 p -133.78 169.21 17.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.169 167.606 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -40.26 150.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.883 172.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 50.5 p-10 -76.4 14.18 0.81 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -166.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -79.6 -30.57 41.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 170.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -110.89 -88.76 1.88 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.543 164.074 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.413 ' HB2' ' H ' ' A' ' 52' ' ' THR . 98.5 mt -78.96 154.0 29.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.752 0.31 . . . . 0.0 110.906 -172.477 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 92.7 p -98.04 161.6 13.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 174.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -124.64 136.8 54.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.059 -179.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 53.5 p90 -161.91 168.43 22.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -176.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.99 54.43 8.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.117 176.166 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.46 ' HB ' ' HA ' ' A' ' 34' ' ' VAL . 94.9 t -88.62 138.53 19.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 169.593 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -127.35 119.26 25.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.969 -175.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 89.3 t -107.31 134.44 49.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 177.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 76.9 t -79.37 125.91 82.19 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.651 0.738 . . . . 0.0 111.201 -169.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -77.11 175.28 11.57 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.699 2.266 . . . . 0.0 112.37 -174.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 96.2 mt -115.57 34.2 5.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 178.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 53.69 38.23 27.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.944 -175.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -164.71 138.85 5.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.807 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -157.76 166.96 31.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 178.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -129.96 148.84 51.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.834 176.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -103.91 140.69 37.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 178.36 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -131.57 165.66 23.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.784 -177.003 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 65.9 t-80 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.83 179.736 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.7 mmm . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.813 0.339 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.19 91.9 2.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.123 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 62.1 mtt -105.98 145.95 30.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.861 -172.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -109.72 153.8 23.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.838 -176.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.69 -178.36 36.46 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.0 t -128.37 142.22 51.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.707 0.289 . . . . 0.0 111.101 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.431 HG13 HG21 ' A' ' 46' ' ' VAL . 97.2 mt -77.97 124.64 36.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 177.368 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 92.6 m -93.6 -39.19 10.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.182 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.432 HG22 ' HB3' ' A' ' 18' ' ' PHE . 11.2 t -149.67 148.84 29.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.178 178.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 52.4 t-105 -139.99 128.64 23.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.915 -172.089 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -118.86 90.1 3.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 176.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -65.19 -24.5 67.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.9 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -73.79 -30.51 62.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.911 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -100.47 -14.14 18.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.95 38.4 64.56 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.556 -176.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -152.21 142.83 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.964 0.411 . . . . 0.0 110.857 -166.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -159.26 -179.79 34.32 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.443 -177.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.432 ' HB3' HG22 ' A' ' 9' ' ' THR . 50.3 t80 -132.42 134.54 45.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 110.919 -172.541 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.408 HD13 HG11 ' A' ' 46' ' ' VAL . 98.7 mt -130.34 140.11 49.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.18 -172.693 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -104.86 124.08 48.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 178.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -79.71 137.25 36.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.816 -178.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -58.45 -17.21 18.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 173.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 75.1 m-80 -82.58 -2.2 53.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 177.164 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.47 -2.21 70.36 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.51 174.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -88.36 124.52 34.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.81 0.338 . . . . 0.0 110.87 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -99.54 122.94 43.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.958 -178.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -138.62 148.8 44.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 -169.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -98.81 142.17 30.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 173.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -131.54 145.42 51.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.842 -175.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -111.65 144.88 40.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.836 177.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 32.4 m -60.23 -22.39 24.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 -172.185 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 71.6 mt -62.9 -31.07 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -90.56 6.94 41.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 -178.05 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 54.7 t -100.3 122.4 52.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.13 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.58 -38.83 81.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.078 -176.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -73.63 154.88 89.49 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.646 0.736 . . . . 0.0 110.934 172.006 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.515 ' HB2' HG12 ' A' ' 40' ' ' ILE . 93.1 Cg_exo -54.07 138.6 70.95 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.694 2.263 . . . . 0.0 112.355 -171.72 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 60.0 p30 -60.82 -8.41 3.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 176.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.6 mt -85.16 -2.98 58.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 178.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.515 HG12 ' HB2' ' A' ' 37' ' ' PRO . 49.3 mm -105.27 112.65 39.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 -174.069 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -126.16 139.35 53.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 171.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -166.53 135.22 2.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 174.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 57.0 p-10 -91.01 -3.04 57.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.907 -166.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.435 ' O ' ' HB2' ' A' ' 45' ' ' ALA . . . -87.68 -3.91 58.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 -166.174 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.466 ' HB3' HG21 ' A' ' 65' ' ' VAL . . . 174.41 126.01 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.077 -174.741 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.431 HG21 HG13 ' A' ' 7' ' ' ILE . 86.4 t -137.9 145.49 28.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 164.628 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 89.7 m -122.74 139.35 54.07 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 171.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 39.7 p90 -157.8 169.56 24.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.804 -172.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -93.19 151.74 40.67 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.597 0.713 . . . . 0.0 110.877 176.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -62.37 138.08 69.15 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.698 2.265 . . . . 0.0 112.356 175.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.485 HG21 ' HB2' ' A' ' 59' ' ' ALA . 14.9 t -160.01 171.55 19.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.085 -170.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 33.8 p -134.84 176.08 8.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.198 164.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -37.87 153.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 167.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 50.6 p-10 -75.19 15.18 0.45 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.976 -163.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -90.44 -27.02 19.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.916 173.181 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -114.2 -104.82 2.6 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.421 172.055 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.6 mt -76.68 155.04 33.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 0.0 110.884 -168.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 92.7 p -110.24 157.38 19.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.485 ' HB2' HG21 ' A' ' 51' ' ' THR . . . -119.68 144.93 46.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.049 -179.319 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 54.6 p90 -154.88 164.11 39.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.941 -176.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.5 49.82 17.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.036 175.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 89.2 t -86.12 137.84 20.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 173.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -129.61 122.58 29.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -173.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 78.7 t -111.35 137.32 44.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 174.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.466 HG21 ' HB3' ' A' ' 45' ' ' ALA . 74.9 t -71.27 124.4 90.92 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.686 0.755 . . . . 0.0 111.178 -169.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -77.68 172.91 14.95 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.737 2.292 . . . . 0.0 112.294 -175.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 95.0 mt -124.74 32.65 5.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.967 -178.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 52.9 44.17 30.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 -176.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -158.18 138.84 12.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -177.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -158.16 171.75 19.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.815 178.147 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -130.3 148.51 52.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 177.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -107.3 142.36 37.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.819 178.136 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -131.88 163.34 28.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -177.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 65.9 t-80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.82 179.709 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.5 mmm . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.742 0.306 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -154.6 139.51 17.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.06 176.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 24.5 mmt -134.4 155.91 49.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 -109.14 157.16 19.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.928 178.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -173.15 -165.78 30.59 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.45 178.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 88.5 m -130.56 134.43 47.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.814 0.34 . . . . 0.0 111.075 175.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.6 mt -77.55 128.39 38.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.069 178.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.6 p -92.03 -26.48 18.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 -171.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 89.4 m -133.42 131.07 39.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.211 -177.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 18.1 t90 -88.82 114.11 25.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.889 177.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.435 ' HB3' ' O ' ' A' ' 16' ' ' PHE . 14.6 p90 -89.03 79.39 7.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.831 -179.588 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -75.55 -62.67 1.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.921 -176.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -95.83 -27.36 15.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -174.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -93.2 -31.95 14.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -163.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.57 19.82 78.93 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.454 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.435 ' O ' ' HB3' ' A' ' 11' ' ' PHE . 18.8 m-30 -109.66 109.27 19.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.908 0.385 . . . . 0.0 110.893 175.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -115.32 143.97 18.28 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.541 -171.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -128.37 138.2 52.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.908 0.385 . . . . 0.0 110.833 176.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.0 tt -129.98 139.44 51.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.187 -176.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.7 tptt -99.08 121.12 40.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.974 175.023 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -81.06 151.38 28.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.848 -170.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -60.28 -14.64 19.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.91 165.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -87.27 -13.26 44.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 173.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.81 2.29 59.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.497 171.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -92.34 147.11 23.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 110.897 176.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -94.66 128.56 41.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.788 173.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.7 mtt85 -119.05 142.34 47.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.805 -177.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -114.09 132.35 56.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -177.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -148.92 176.66 10.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.991 -172.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 67.7 m80 -124.9 158.47 33.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -172.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.4 ' O ' HG22 ' A' ' 34' ' ' VAL . 12.5 p -56.91 -25.18 21.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.125 176.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 45.9 pt -80.79 -14.26 12.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 -178.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -99.47 -5.43 29.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -171.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 31' ' ' VAL . 35.7 m -103.14 146.71 10.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.147 -172.464 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.77 -48.02 34.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.186 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -90.42 138.79 26.78 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-O 121.615 0.721 . . . . 0.0 110.864 173.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -75.97 165.38 29.98 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.609 2.206 . . . . 0.0 112.34 -167.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 53.0 p-10 -61.4 -14.58 29.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.899 175.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.0 mt -84.9 -27.98 26.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.94 -179.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 77.6 mt -110.06 86.76 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 177.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -127.21 150.5 49.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 175.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -157.94 142.51 16.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.872 177.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -84.5 -15.57 45.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.839 -160.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -84.24 2.19 41.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.197 -168.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -171.35 125.95 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.08 -176.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 89.4 t -140.69 135.9 34.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 164.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.6 t -138.67 147.85 43.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.147 172.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 53.9 p90 -150.52 167.49 27.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -168.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -101.71 127.82 30.38 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.605 0.717 . . . . 0.0 110.846 167.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -73.32 138.63 27.78 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.601 2.201 . . . . 0.0 112.306 -174.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.438 HG21 ' CD2' ' A' ' 60' ' ' TYR . 54.2 p -144.45 172.99 12.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.179 178.753 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.2 t -145.25 138.17 26.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.157 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -120.83 163.3 18.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 171.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -67.32 -22.14 65.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 175.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -94.91 -4.66 46.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 145.19 165.95 11.48 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.433 176.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 88.5 mt -75.57 139.82 42.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.831 0.348 . . . . 0.0 110.891 -177.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 75.5 m -129.21 162.43 27.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -178.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -128.53 122.1 30.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.158 178.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.438 ' CD2' HG21 ' A' ' 51' ' ' THR . 21.5 m-30 -113.67 164.17 14.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 -172.517 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.01 54.29 9.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.106 176.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 95.6 t -83.37 132.65 30.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.196 -176.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -133.84 135.98 44.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 -170.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 93.0 t -97.99 125.02 51.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 175.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 85.8 t -99.27 118.99 61.57 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.594 0.712 . . . . 0.0 111.133 -171.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -76.7 160.04 34.8 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.598 2.199 . . . . 0.0 112.373 177.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 69.4 tp -66.45 -59.86 3.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 177.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -97.15 154.56 17.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 175.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 33.9 p80 -82.93 174.45 10.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 178.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 -68.5 121.14 15.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.841 177.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -97.23 143.04 28.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.015 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -115.9 145.02 43.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.939 -176.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -134.03 144.97 49.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.924 -177.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.852 -177.188 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.2 mmm . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.762 0.315 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.87 139.94 22.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.12 177.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 90.2 mmm -130.59 153.32 49.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.802 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -120.24 149.67 41.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 173.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -160.03 -176.43 32.1 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.485 179.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 96.2 m -119.69 136.51 54.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.722 0.296 . . . . 0.0 111.085 176.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.5 mm -80.73 124.72 38.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.097 -177.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 96.9 m -84.77 -40.82 16.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.109 -175.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 92.8 m -135.11 133.53 39.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.189 -174.137 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 21.7 t90 -84.18 125.37 32.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 176.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.626 ' HB3' ' O ' ' A' ' 16' ' ' PHE . 17.8 p90 -89.24 80.0 6.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.473 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -72.4 -64.02 1.03 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 -178.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -98.29 -29.45 13.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.801 -172.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -92.23 -26.86 17.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.975 -162.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.63 18.85 80.03 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.467 -178.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.626 ' O ' ' HB3' ' A' ' 11' ' ' PHE . 21.0 m-85 -115.86 127.83 55.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.946 0.403 . . . . 0.0 110.866 178.45 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -130.52 153.48 20.22 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.5 -175.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -127.76 143.37 51.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 0.0 110.831 175.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.6 tt -134.17 137.43 51.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.206 -178.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -102.36 122.59 44.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 173.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -81.55 154.73 26.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.824 -167.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -61.01 -15.31 30.48 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 170.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -85.03 -13.57 50.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.921 174.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.06 3.47 60.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.507 175.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -89.9 148.38 23.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.885 0.374 . . . . 0.0 110.857 177.038 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -96.61 128.97 44.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 175.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.435 ' HG2' ' HB3' ' A' ' 57' ' ' LEU . 44.3 mtt85 -119.97 142.63 48.59 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.829 -179.274 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -112.93 128.38 56.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.95 175.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -137.61 170.11 16.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.954 -174.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 52.7 m80 -119.99 157.69 28.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -174.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.0 p -51.25 -29.84 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.089 177.01 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 47.6 pt -75.15 -17.9 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 -178.113 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.1 mttp -95.21 4.63 53.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 39.0 t -108.33 128.28 63.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.09 -178.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.05 -40.46 78.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 -177.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.412 HD22 ' HB ' ' A' ' 64' ' ' VAL . 99.3 m-20 -83.82 147.75 52.53 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.536 0.684 . . . . 0.0 110.957 172.297 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -70.57 163.47 38.8 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.599 2.199 . . . . 0.0 112.389 -176.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 52.1 p-10 -60.5 -14.92 22.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 176.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.5 mt -83.86 -19.98 33.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 77.3 mt -113.93 92.76 2.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.1 177.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -140.5 134.71 31.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 173.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -162.76 152.22 15.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -172.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 57.4 p30 -83.45 6.63 19.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.851 -173.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.18 -14.35 59.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.134 -170.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.44 ' HB3' ' H ' ' A' ' 65' ' ' VAL . . . -176.44 138.06 0.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.072 176.528 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 63.7 t -138.86 133.27 41.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.119 170.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.7 t -148.18 149.38 31.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 167.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -154.31 168.8 25.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -177.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -94.73 139.56 22.27 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.667 0.746 . . . . 0.0 110.856 176.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -67.02 122.84 10.21 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.684 2.256 . . . . 0.0 112.306 -176.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 36.7 p -143.48 166.04 25.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.105 177.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 10.1 t -157.85 145.19 18.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.104 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -115.61 162.74 16.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 175.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -68.27 -22.03 64.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 175.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -94.2 -4.2 49.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 147.27 159.76 8.51 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.5 179.025 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.435 ' HB3' ' HG2' ' A' ' 27' ' ' ARG . 11.2 mp -75.27 139.33 42.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.816 0.341 . . . . 0.0 110.923 -176.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 53.0 m -130.94 164.04 26.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.808 -176.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -113.33 134.7 54.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.181 176.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -129.64 147.17 51.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.975 -172.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 57.62 52.91 7.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.105 -176.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 88.5 t -80.23 129.78 37.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 -177.06 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -133.86 130.95 38.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -172.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.412 ' HB ' HD22 ' A' ' 36' ' ' ASN . 93.8 t -98.26 123.35 50.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.162 166.095 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.44 ' H ' ' HB3' ' A' ' 45' ' ' ALA . 83.9 t -97.4 119.57 62.65 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.628 0.728 . . . . 0.0 111.179 -168.61 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -77.15 165.15 28.45 Favored 'Trans proline' 0 C--O 1.233 0.261 0 C-N-CA 122.581 2.188 . . . . 0.0 112.441 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 69.4 tp -66.91 -59.17 3.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.964 178.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -102.39 156.23 17.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.964 176.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 34.0 p80 -80.65 173.71 12.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.805 178.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 66.0 t-80 -67.32 126.27 28.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.823 177.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -102.73 145.1 30.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.768 -178.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -117.72 144.67 45.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 -176.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -132.08 153.53 50.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.849 -178.258 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.83 -178.51 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.6 ttm . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.731 0.3 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.94 133.4 16.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 174.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 53.8 tpp -131.62 140.12 49.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 -176.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -108.2 150.44 27.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -176.71 -172.56 41.47 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.562 -178.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.3 p -128.43 147.74 50.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.824 0.345 . . . . 0.0 111.121 -178.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.1 mt -81.92 123.61 38.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.071 172.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.6 m -82.04 -39.33 23.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.033 175.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.1 t -147.52 141.41 25.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.174 177.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 18.2 t90 -129.6 124.87 34.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.951 -175.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -117.71 84.52 2.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 177.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -62.29 -38.56 89.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -177.244 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -70.13 -26.44 63.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -177.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -97.03 -13.65 22.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.9 31.72 61.81 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.464 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -135.33 142.95 45.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.967 0.413 . . . . 0.0 110.896 -174.021 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.401 ' HA3' ' CE1' ' A' ' 29' ' ' PHE . . . -142.1 162.22 27.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.466 176.069 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.495 ' CE2' ' HB3' ' A' ' 26' ' ' ASN . 45.7 t80 -139.35 132.98 30.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.889 0.375 . . . . 0.0 110.86 -178.255 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 43.4 pt -129.74 149.09 33.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.159 -162.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -108.28 131.27 54.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 169.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -76.13 156.31 33.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.809 -173.357 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -56.99 -17.37 9.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.78 163.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 -90.82 -7.03 53.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.834 175.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.18 -0.57 72.26 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.447 176.074 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -84.15 136.8 33.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.849 0.357 . . . . 0.0 110.873 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.495 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 72.6 m-80 -99.02 130.42 45.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.6 ptp85 -148.35 163.27 37.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.263 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 54.6 p90 -106.43 156.56 18.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.91 -174.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.401 ' CE1' ' HA3' ' A' ' 17' ' ' GLY . 31.2 p90 -139.72 162.34 35.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 172.314 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -119.76 147.62 44.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -178.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.6 p -57.96 -24.57 23.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.152 -179.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 49.3 pt -72.17 -18.89 19.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -97.48 14.44 26.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 58.7 t -101.85 127.45 55.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.1 -42.17 80.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 -175.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 -128.84 82.31 68.97 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.76 0.79 . . . . 0.0 110.943 177.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.74 -15.67 37.28 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.633 2.222 . . . . 0.0 112.358 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -74.86 -35.92 62.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 169.174 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 92.8 mt -100.09 -0.93 38.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.95 -175.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 18.8 tt -50.61 136.08 9.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.141 175.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -128.39 160.77 31.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.989 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.417 ' C ' ' N ' ' A' ' 44' ' ' ALA . 99.2 mttt -64.85 -176.46 0.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.781 171.592 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 57.6 p-10 -50.93 -12.65 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -178.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.417 ' N ' ' C ' ' A' ' 42' ' ' LYS . . . -53.34 -25.68 16.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 174.537 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -166.86 116.58 0.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.042 164.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 65.7 t -140.8 135.72 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 173.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.2 m -135.16 144.34 46.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.097 158.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 55.5 p90 -148.29 168.2 23.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -169.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -112.98 134.11 21.86 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.683 0.754 . . . . 0.0 110.815 172.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -78.32 148.64 24.06 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.664 2.243 . . . . 0.0 112.367 -174.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.1 t -155.11 163.02 40.83 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 175.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 85.4 m -131.8 129.58 40.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.081 -173.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.507 ' O ' ' HB2' ' A' ' 54' ' ' ASN . 60.0 t-20 -142.91 101.26 3.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 178.291 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.507 ' HB2' ' O ' ' A' ' 53' ' ' ASN . 71.9 m-20 74.96 -154.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -171.695 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -82.65 9.52 9.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -114.83 130.66 9.33 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.488 177.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 98.0 mt -80.69 145.02 31.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.756 0.313 . . . . 0.0 110.939 176.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.0 t -135.85 166.41 23.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 178.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -130.73 146.45 52.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.09 177.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -144.45 174.59 10.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.879 -176.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.45 54.27 8.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.055 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 93.0 t -79.02 131.38 34.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 -173.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -138.19 137.31 37.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -172.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 94.8 t -106.14 132.59 52.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.101 177.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.2 m -61.9 152.84 75.31 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.628 0.728 . . . . 0.0 111.111 -178.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -54.26 119.36 6.22 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.665 2.243 . . . . 0.0 112.332 178.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 92.5 mt -115.45 25.16 11.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 175.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -85.44 106.31 16.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -169.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 56.5 p-80 -75.46 -11.33 60.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.801 178.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -77.5 145.82 36.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.792 178.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -125.26 144.97 50.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -129.87 83.0 2.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.847 -176.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -125.21 45.07 2.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 -177.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.828 178.811 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.6 ttt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.761 0.315 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.05 155.74 34.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.05 178.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 28.3 ptm -129.43 163.16 26.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 178.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -100.76 152.64 20.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 178.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.602 ' HA3' ' HE1' ' A' ' 48' ' ' PHE . . . -161.71 -173.8 30.81 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.623 -176.629 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.8 p -132.5 142.76 49.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.752 0.311 . . . . 0.0 111.193 177.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.9 mt -92.1 120.56 41.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 167.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 73.2 p -96.69 -22.82 16.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.036 -173.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 96.9 m -139.46 129.93 25.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.144 174.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -130.59 109.87 10.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.952 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -111.86 85.77 2.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 177.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.03 -39.6 90.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 -176.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -65.92 -25.63 67.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -178.474 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -99.83 -16.2 18.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.908 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.06 23.95 74.92 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.454 -175.283 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.2 m-30 -108.32 142.4 38.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.973 0.416 . . . . 0.0 110.931 -175.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.697 ' HA3' ' CZ ' ' A' ' 29' ' ' PHE . . . -141.94 157.33 26.35 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.496 169.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -134.56 139.76 45.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.839 0.352 . . . . 0.0 110.905 176.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.8 mt -126.19 139.05 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.197 -172.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -103.74 128.6 51.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.786 174.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.442 ' HB3' ' H ' ' A' ' 23' ' ' ASN . 98.1 m-20 -83.27 157.64 22.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.82 -171.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -53.22 -18.91 2.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.814 160.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.442 ' H ' ' HB3' ' A' ' 21' ' ' ASP . 95.7 m-20 -89.86 -11.32 42.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 177.179 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.08 1.45 65.03 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.434 170.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -89.18 143.6 26.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.871 0.367 . . . . 0.0 110.897 178.189 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 -97.54 131.84 43.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 176.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -132.17 147.91 52.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -176.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.464 ' O ' ' HA ' ' A' ' 58' ' ' SER . 39.5 t80 -95.16 146.39 24.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -177.032 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.697 ' CZ ' ' HA3' ' A' ' 17' ' ' GLY . 34.2 p90 -140.02 158.72 43.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 170.328 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -109.8 145.35 36.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 171.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.9 m -59.29 -23.42 24.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.177 179.243 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.2 mt -69.42 -26.81 32.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.145 174.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -92.94 7.06 45.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -178.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.616 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 96.9 t -100.6 135.37 36.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 -179.178 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.65 -42.09 91.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 -175.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -125.49 74.4 68.94 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.69 0.757 . . . . 0.0 110.893 176.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.616 ' HD3' ' O ' ' A' ' 34' ' ' VAL . 49.7 Cg_endo -70.28 -18.1 34.79 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 122.631 2.22 . . . . 0.0 112.369 179.106 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -73.07 -36.24 66.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.914 170.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.6 mt -97.89 -2.13 41.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -173.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 16.0 tt -63.46 137.02 25.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.198 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -138.22 169.5 17.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 -174.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -64.72 179.68 0.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.816 179.246 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 57.6 p30 -61.23 -2.26 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -176.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.32 -23.88 26.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.17 168.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -167.89 119.09 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.073 162.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.9 t -139.76 128.41 27.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 174.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 95.7 m -135.93 142.1 44.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.092 170.01 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.602 ' HE1' ' HA3' ' A' ' 5' ' ' GLY . 52.8 p90 -154.87 164.3 39.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.815 -175.229 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -92.22 143.02 26.84 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.649 0.737 . . . . 0.0 110.826 -178.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -56.47 131.39 45.43 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.685 2.257 . . . . 0.0 112.275 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.3 t -156.61 153.66 28.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 -175.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.9 t -150.49 140.88 22.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.077 174.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -138.19 79.1 1.72 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 -174.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 31.6 m120 70.97 -154.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 173.291 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -78.75 -20.14 50.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -176.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -99.51 106.27 3.17 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.52 173.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.8 mt -73.95 130.21 39.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.838 0.351 . . . . 0.0 110.87 -170.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.464 ' HA ' ' O ' ' A' ' 28' ' ' TYR . 89.8 p -129.96 162.38 28.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 178.22 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.549 ' HB3' ' HB3' ' A' ' 29' ' ' PHE . . . -128.5 147.26 50.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.121 -177.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -135.46 156.54 48.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -176.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.87 61.16 3.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.066 171.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 95.3 t -83.83 104.55 12.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.163 -178.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -101.85 139.63 37.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.96 -176.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 86.0 t -105.41 138.75 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.143 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.2 m -100.96 154.3 37.23 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.611 0.719 . . . . 0.0 111.176 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -60.86 108.83 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.705 2.27 . . . . 0.0 112.358 -178.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 38.2 tp -77.73 -38.89 46.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.797 176.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -87.38 99.25 11.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -97.48 -7.8 30.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.813 176.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 33.9 p80 -64.63 160.69 19.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.771 176.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -138.62 148.58 44.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -133.13 75.53 1.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.808 177.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -125.98 44.98 2.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.827 -177.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.833 178.974 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.784 0.326 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.15 148.35 48.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.11 179.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 95.5 mtp -134.58 149.16 50.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -123.9 163.39 21.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.947 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.29 176.41 20.78 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.468 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 93.9 m -131.54 131.62 43.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.321 . . . . 0.0 111.174 175.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 97.1 mt -98.23 123.63 50.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 172.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.5 p -91.62 -29.71 16.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 -178.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.9 m -147.49 137.71 23.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.233 177.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 66.1 t90 -150.98 128.46 11.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.828 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -112.05 114.46 27.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 178.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.67 -48.99 78.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 178.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -74.58 -29.08 61.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -171.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -98.34 -25.12 14.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -169.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.13 33.61 49.19 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.485 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -111.07 133.26 53.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.888 0.375 . . . . 0.0 110.904 173.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -148.23 150.55 22.76 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.438 176.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -128.69 151.13 49.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.807 0.336 . . . . 0.0 110.877 -179.438 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 92.8 mt -129.59 136.08 60.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.221 177.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -97.99 121.01 39.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 172.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -82.29 165.92 19.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.846 -172.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.88 -20.06 61.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 171.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -86.08 -11.04 53.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 176.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.57 4.76 63.7 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.465 175.197 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -83.07 134.84 35.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.738 0.304 . . . . 0.0 110.864 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 -91.78 116.14 28.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 176.273 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.458 ' HG2' ' HB3' ' A' ' 57' ' ' LEU . 51.2 mtt85 -117.44 140.46 49.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 -175.553 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -95.11 134.92 37.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.96 177.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.51 ' HB3' ' HB3' ' A' ' 59' ' ' ALA . 34.6 p90 -129.54 164.83 22.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.843 -177.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.409 ' HB3' HG12 ' A' ' 32' ' ' ILE . 95.3 m-70 -109.25 143.42 38.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.796 173.73 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.2 m -62.51 -24.07 34.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.178 178.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.409 HG12 ' HB3' ' A' ' 30' ' ' HIS . 44.6 pt -75.63 -16.21 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.02 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -97.05 14.34 25.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.494 ' HA ' ' HB ' ' A' ' 62' ' ' VAL . 60.0 t -105.66 137.78 33.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 -179.332 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.18 -46.74 69.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.078 -177.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -138.11 82.45 24.6 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.64 0.733 . . . . 0.0 110.885 175.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.62 -14.44 44.79 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.669 2.246 . . . . 0.0 112.396 -178.241 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -71.24 -28.79 64.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 175.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 95.6 mt -97.4 -4.95 37.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 -172.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.4 mm -66.64 133.07 31.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 176.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.466 ' O ' ' HB2' ' A' ' 45' ' ' ALA . 99.3 mttt -124.24 156.34 37.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.881 177.37 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -49.18 -74.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -175.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -85.43 -28.42 25.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.886 -174.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -93.16 21.46 5.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 -170.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.466 ' HB2' ' O ' ' A' ' 41' ' ' LYS . . . -64.5 168.12 6.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.105 -172.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.3 m -106.98 -155.28 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 -171.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.0 t -107.58 168.68 9.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.089 -156.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -153.5 166.24 33.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -173.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -92.31 126.45 52.65 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.704 0.764 . . . . 0.0 110.881 172.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -72.85 151.26 50.88 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.683 2.255 . . . . 0.0 112.343 -174.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.9 t -164.95 173.95 11.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 178.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 86.9 m -141.82 138.14 31.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -128.12 159.8 33.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.876 176.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -74.39 -15.54 60.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.98 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -92.11 -14.36 29.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.836 177.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 147.78 169.78 15.28 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.499 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.458 ' HB3' ' HG2' ' A' ' 27' ' ' ARG . 96.1 mt -74.96 131.73 40.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.776 0.322 . . . . 0.0 110.961 -179.375 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.7 m -130.14 163.52 26.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -173.117 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.51 ' HB3' ' HB3' ' A' ' 29' ' ' PHE . . . -133.4 132.72 41.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.012 -178.72 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -134.38 166.21 23.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -177.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 56.29 56.81 5.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.121 177.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.494 ' HB ' ' HA ' ' A' ' 34' ' ' VAL . 93.9 t -77.42 122.71 32.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.22 179.336 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -119.35 125.3 48.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 -168.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 87.6 t -90.05 122.56 41.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 178.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 96.4 t -92.49 128.88 42.74 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.553 0.692 . . . . 0.0 111.161 177.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -65.24 117.84 4.92 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.707 2.272 . . . . 0.0 112.323 174.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 94.9 mt -92.55 -14.33 28.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -170.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -128.3 143.64 51.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -135.45 148.69 49.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 60.8 t-80 -96.67 144.76 26.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 -155.79 164.99 37.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 178.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 64.8 t-80 -160.05 142.78 13.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.771 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 33.4 p80 -168.05 164.75 13.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.823 179.181 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 . . . . . 0 C--N 1.331 -0.204 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.576 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.802 0.334 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.17 138.99 52.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 73.0 mtm -128.79 155.13 45.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -119.07 147.56 44.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -137.24 178.03 19.32 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.435 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 90.8 m -134.91 131.59 37.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.842 0.354 . . . . 0.0 111.153 173.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 82.4 mt -98.6 125.0 52.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.172 170.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 80.6 p -90.56 -26.94 19.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.075 -175.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.1 t -150.07 140.71 22.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.155 176.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 40.4 t90 -149.99 124.84 9.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 177.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -114.99 107.48 15.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.923 178.141 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.09 -40.27 97.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 178.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -77.01 -35.24 57.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.795 -173.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -94.39 -25.61 16.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 -173.085 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.61 30.75 55.9 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.548 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -114.2 131.47 56.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.933 0.397 . . . . 0.0 110.909 172.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -152.26 154.64 25.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.471 176.193 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 19.2 m-30 -118.1 149.68 40.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.872 0.368 . . . . 0.0 110.891 177.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.7 mt -126.09 132.13 70.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.173 174.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -104.34 120.31 40.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 171.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -86.87 169.06 12.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -171.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.35 -22.26 66.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 171.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -84.47 -10.78 57.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.816 176.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.72 6.22 62.41 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.478 176.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -77.22 135.92 38.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.773 0.32 . . . . 0.0 110.78 -178.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -99.78 110.38 22.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 176.372 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 81.4 mtt85 -109.64 143.18 39.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.834 -176.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -99.67 131.78 45.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 169.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 1.02 ' HB3' ' HB3' ' A' ' 59' ' ' ALA . 37.1 p90 -131.49 159.18 38.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.841 -176.015 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 30.6 m80 -106.33 147.65 28.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 173.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.3 m -59.31 -23.27 24.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 177.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.9 pt -76.59 -18.28 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.157 177.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -94.54 8.02 43.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 60.3 t -104.91 140.16 23.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.095 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.24 -42.91 71.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -134.69 79.41 53.0 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.635 0.731 . . . . 0.0 110.909 175.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -65.89 -19.66 58.41 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.736 2.291 . . . . 0.0 112.316 -178.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -69.53 -28.11 65.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 176.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.8 mt -96.39 -5.71 39.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -174.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 24.1 mm -61.24 128.03 21.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.217 178.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.664 ' H ' ' HB2' ' A' ' 45' ' ' ALA . 74.7 mmtt -127.3 176.69 7.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.934 176.759 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -68.38 -82.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.88 173.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -84.21 -22.66 30.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.835 -175.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.98 -12.34 44.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.082 -165.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.664 ' HB2' ' H ' ' A' ' 41' ' ' LYS . . . -78.13 165.74 23.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.106 174.539 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.9 m -124.74 166.48 20.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 178.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.0 t -80.93 -168.14 1.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.166 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -157.31 178.53 10.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.856 -156.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -55.55 138.55 68.94 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.775 0.797 . . . . 0.0 110.85 -178.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -69.97 145.88 57.23 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.682 2.254 . . . . 0.0 112.376 -172.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.8 t -158.44 153.71 25.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.231 178.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.7 t -152.8 149.36 28.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.204 -178.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -135.29 152.84 51.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.92 177.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -75.62 -22.9 56.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 -177.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -85.98 -15.78 40.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 148.62 165.88 12.5 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.456 176.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.8 mt -71.89 127.96 34.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.352 . . . . 0.0 110.962 -177.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 94.7 p -147.69 162.53 38.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.839 175.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 1.02 ' HB3' ' HB3' ' A' ' 29' ' ' PHE . . . -120.2 134.57 55.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.065 -167.366 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -139.44 156.02 47.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 52.29 52.81 13.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.121 177.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.4 t -77.18 131.41 34.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.17 -175.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -117.75 125.93 51.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 -172.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 85.8 t -97.32 125.37 50.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 88.4 t -104.55 128.44 26.92 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.572 0.701 . . . . 0.0 111.115 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -64.49 123.61 12.02 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.658 2.239 . . . . 0.0 112.359 176.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 94.6 mt -99.95 -12.1 20.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -174.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -128.14 142.61 51.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -137.39 150.24 47.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -177.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -102.13 144.75 30.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 34.0 p80 -152.96 171.75 17.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 178.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 -159.91 140.03 11.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.832 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 33.5 p80 -169.18 162.81 10.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.346 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.812 0.339 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.23 144.67 55.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 90.1 mtp -131.93 160.43 35.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 -96.24 153.06 18.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.914 -178.38 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.45 172.16 35.37 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 177.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.458 HG23 ' HA ' ' A' ' 43' ' ' ASP . 96.0 m -129.88 136.41 49.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.787 0.327 . . . . 0.0 111.154 176.68 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 83.7 mt -89.42 124.98 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.175 -174.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 57.9 p -100.52 -21.42 15.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 177.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 84.8 m -139.3 132.15 29.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.166 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 17.3 t90 -142.49 118.55 10.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -114.8 88.87 2.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.891 177.254 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -62.18 -39.28 92.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -176.068 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -66.35 -24.88 66.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -178.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -99.26 -15.38 18.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.8 23.54 76.34 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.529 -175.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.9 m-30 -110.83 142.96 42.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.871 0.367 . . . . 0.0 110.901 -175.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.405 ' HA3' ' CZ ' ' A' ' 29' ' ' PHE . . . -143.13 156.5 26.51 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.495 172.626 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -129.38 144.75 51.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.826 0.346 . . . . 0.0 110.88 175.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 93.7 mt -129.48 135.43 61.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 -177.084 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -98.9 125.66 44.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 169.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -84.93 165.07 17.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.884 -169.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -55.22 -23.88 24.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 167.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -86.58 -12.98 47.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 176.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.79 4.37 63.59 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.485 174.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -80.9 139.12 36.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.774 0.321 . . . . 0.0 110.887 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -90.72 117.29 29.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 177.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 81.5 mtt85 -115.13 139.13 50.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -176.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -103.6 135.32 45.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.936 178.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.635 ' HB3' ' HB3' ' A' ' 59' ' ' ALA . 29.8 p90 -138.53 161.38 37.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.85 -176.392 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 71.2 m80 -106.29 145.59 31.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.795 174.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.5 m -63.32 -21.35 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.8 pt -74.01 -16.5 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.151 177.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -95.89 17.11 15.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 175.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.404 ' HA ' ' HB ' ' A' ' 62' ' ' VAL . 53.2 t -111.99 139.39 36.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.194 -179.027 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.47 -42.87 82.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.119 -177.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -137.56 84.46 22.88 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.582 0.706 . . . . 0.0 110.899 174.149 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -66.28 -15.28 47.64 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.725 2.283 . . . . 0.0 112.323 -175.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -69.58 -26.29 64.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 177.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 95.9 mt -98.24 0.15 45.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -171.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 89.6 mt -54.32 134.28 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 174.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.534 ' O ' ' HB2' ' A' ' 45' ' ' ALA . 99.2 mttt -134.78 156.47 48.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 175.056 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -60.04 -80.73 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.458 ' HA ' HG23 ' A' ' 6' ' ' THR . 99.5 m-20 -77.88 -25.06 48.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.989 -176.381 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.58 14.46 20.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.104 -169.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.534 ' HB2' ' O ' ' A' ' 41' ' ' LYS . . . -62.34 158.92 16.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 -169.739 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.491 HG21 ' HA ' ' A' ' 64' ' ' VAL . 19.0 m -100.11 -140.11 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.193 -176.41 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 58.9 p -115.56 158.33 22.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 -156.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 47.0 p90 -151.64 164.42 36.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.862 -172.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -102.88 128.66 27.33 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.661 0.743 . . . . 0.0 110.935 169.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -68.55 137.01 38.07 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.648 2.232 . . . . 0.0 112.37 -177.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 71.9 p -141.88 163.35 33.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.151 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 92.3 m -133.29 135.18 44.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.208 -173.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 36.0 m120 -127.59 163.96 23.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.91 175.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -69.03 -14.5 63.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 174.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -93.98 -6.46 45.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 179.064 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 138.04 178.98 16.59 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.49 178.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.7 mt -76.41 139.28 40.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.808 0.337 . . . . 0.0 110.96 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 93.1 p -142.2 169.17 18.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -172.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.635 ' HB3' ' HB3' ' A' ' 29' ' ' PHE . . . -127.72 144.57 51.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.06 -177.378 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -142.07 155.45 45.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -175.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 59.45 61.07 2.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.117 177.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.404 ' HB ' ' HA ' ' A' ' 34' ' ' VAL . 96.2 t -82.38 127.84 39.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.18 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -126.58 129.48 48.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -168.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.491 ' HA ' HG21 ' A' ' 46' ' ' VAL . 84.5 t -89.09 122.28 40.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.194 178.486 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 84.0 t -102.05 129.77 25.69 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.6 0.714 . . . . 0.0 111.131 177.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -63.62 116.27 3.55 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.705 2.27 . . . . 0.0 112.315 176.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 94.2 mt -96.01 -12.69 24.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -174.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -124.56 142.12 51.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 -179.325 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -136.04 148.33 48.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 -178.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 -78.66 144.25 35.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.902 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 -155.03 165.11 37.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 -160.02 143.15 13.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.821 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 57.0 p-80 -161.49 170.48 19.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.927 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 179.85 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.81 0.338 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.96 141.65 58.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.153 179.216 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 76.6 mtm -132.43 154.74 49.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -122.17 160.35 25.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.316 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.73 176.3 34.07 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.438 177.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.4 m -129.18 131.73 47.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.83 0.347 . . . . 0.0 111.124 -177.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 85.5 mt -99.12 125.0 52.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.185 170.023 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 79.4 p -90.85 -27.28 18.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 -175.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.3 t -150.34 141.29 22.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.12 176.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.518 ' HE1' HG12 ' A' ' 31' ' ' VAL . 38.9 t90 -149.88 124.97 10.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 177.42 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -114.85 106.63 14.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 177.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.45 -40.03 95.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -77.95 -34.86 50.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.832 -173.471 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -93.54 -27.32 16.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -173.109 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.2 29.62 53.06 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.52 -179.142 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -113.93 132.39 55.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.892 0.377 . . . . 0.0 110.9 172.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -156.87 157.96 28.42 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.448 176.339 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -119.61 149.94 41.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.887 0.375 . . . . 0.0 110.9 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.2 mt -126.31 132.16 70.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.187 174.245 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -104.96 120.62 41.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.921 172.151 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -88.49 169.02 12.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 -171.026 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.52 -22.43 66.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.83 172.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -84.44 -10.57 57.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 177.123 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.13 1.65 64.79 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.525 177.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -69.88 140.88 53.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.739 0.304 . . . . 0.0 110.892 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -106.78 110.05 22.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 176.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 84.0 mtt85 -109.25 143.03 39.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.816 -174.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -100.42 132.48 45.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.929 168.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.998 ' HB3' ' HB3' ' A' ' 59' ' ' ALA . 34.6 p90 -132.57 160.04 37.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.845 -175.473 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -107.36 148.34 29.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 172.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.518 HG12 ' HE1' ' A' ' 10' ' ' TRP . 28.5 m -59.9 -23.17 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.201 177.048 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.1 pt -77.0 -18.36 14.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.102 177.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -94.16 6.78 47.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 177.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 57.7 t -104.47 139.24 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.13 179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.23 -42.04 72.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -134.66 79.71 52.38 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.585 0.707 . . . . 0.0 110.882 175.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.38 -18.75 55.49 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.694 2.263 . . . . 0.0 112.352 -178.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -69.8 -27.9 65.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 175.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.2 mt -96.19 -5.95 39.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -174.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.9 mm -60.22 128.04 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.161 177.178 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.649 ' H ' ' HB2' ' A' ' 45' ' ' ALA . 74.5 mmtt -129.2 175.38 8.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.828 176.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -67.45 -82.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 174.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -86.79 -21.48 26.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.956 -176.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -86.49 -15.0 41.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.136 -166.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.649 ' HB2' ' H ' ' A' ' 41' ' ' LYS . . . -75.87 166.07 24.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 174.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.3 m -125.06 166.07 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.096 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.4 t -80.04 -168.56 1.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -156.91 178.24 10.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -157.203 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -54.97 137.37 65.95 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.658 0.742 . . . . 0.0 110.827 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -69.28 146.55 63.57 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.622 2.215 . . . . 0.0 112.374 -172.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.9 t -158.57 154.75 27.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 178.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.3 t -154.31 152.26 30.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.094 -178.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -138.61 151.86 47.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 178.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -74.92 -20.0 59.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.949 -176.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -87.15 -8.07 57.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.872 178.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 138.18 166.41 10.67 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.54 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.4 mt -72.37 129.76 39.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.836 0.351 . . . . 0.0 110.921 -176.086 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 91.8 p -151.27 162.04 41.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 178.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.998 ' HB3' ' HB3' ' A' ' 29' ' ' PHE . . . -119.98 134.94 55.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.145 -166.657 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -139.93 155.58 47.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.903 179.198 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 52.27 53.21 12.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.119 177.069 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 99.0 t -78.64 131.67 33.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 -175.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -117.41 125.78 51.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -174.292 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 73.0 t -98.5 125.44 51.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.17 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 99.7 t -110.32 129.08 24.33 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.626 0.727 . . . . 0.0 111.177 -177.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -65.13 137.61 52.92 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.699 2.266 . . . . 0.0 112.287 179.068 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 89.8 mt -107.16 -2.68 20.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -175.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -128.24 137.55 52.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -139.91 144.57 37.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -177.642 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -78.17 144.87 35.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.835 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 57.2 p-80 -155.06 165.0 38.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 178.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -159.96 143.72 14.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.818 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 34.5 p80 -162.82 170.8 17.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 179.45 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.9 mmm . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.81 0.338 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.53 142.15 55.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 73.5 mtm -128.79 154.09 46.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.272 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -113.79 149.88 34.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 -178.161 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.406 ' H ' ' HA ' ' A' ' 46' ' ' VAL . . . -145.21 175.27 24.88 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.475 177.494 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 97.1 m -132.08 137.07 47.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.861 0.363 . . . . 0.0 111.166 177.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.462 HG12 HG12 ' A' ' 19' ' ' ILE . 91.8 mt -89.95 124.73 42.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 170.119 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.7 p -90.79 -37.13 13.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 -173.377 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.3 p -140.86 148.09 39.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.146 174.037 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 38.2 t90 -150.11 124.85 9.78 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -119.78 107.64 13.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.832 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -63.86 -47.01 82.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.921 -178.19 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -73.66 -32.14 63.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 -171.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -97.5 -22.72 16.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 -174.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.38 36.18 45.39 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 176.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -113.84 130.18 56.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.964 0.412 . . . . 0.0 110.861 173.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -140.13 149.19 20.69 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 173.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -133.12 139.76 47.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.826 0.346 . . . . 0.0 110.823 -178.369 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.462 HG12 HG12 ' A' ' 7' ' ' ILE . 85.0 mt -125.72 137.7 56.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.213 -174.249 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -100.11 122.12 42.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 171.662 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -88.34 165.7 14.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 -171.384 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -58.3 -22.03 51.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 171.006 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -82.25 -13.17 57.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 176.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.22 4.8 62.59 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.518 174.196 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -86.09 140.51 30.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.804 0.335 . . . . 0.0 110.862 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 -96.94 111.47 23.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 175.126 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 66.1 mtt85 -120.31 146.15 46.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 -171.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -99.49 139.49 35.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 -175.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.828 ' HB3' ' HB3' ' A' ' 59' ' ' ALA . 26.1 p90 -133.68 159.11 41.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.349 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.44 ' HB3' HG12 ' A' ' 32' ' ' ILE . 93.2 m-70 -103.77 144.78 31.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.787 173.072 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.9 m -58.45 -23.76 23.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.168 176.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.44 HG12 ' HB3' ' A' ' 30' ' ' HIS . 42.4 pt -79.42 -17.14 13.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 177.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -94.73 12.52 27.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 178.324 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 61.4 t -100.12 134.44 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 175.487 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.02 -44.03 64.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.048 -178.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -130.88 81.17 67.93 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.634 0.73 . . . . 0.0 110.892 176.149 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -67.06 -17.92 51.29 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.727 2.285 . . . . 0.0 112.336 -178.131 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -70.86 -30.57 66.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 176.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 91.7 mt -92.44 -8.54 44.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -175.457 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.4 mm -58.42 127.67 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.144 177.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.572 ' HB2' ' HB3' ' A' ' 44' ' ' ALA . 99.2 mttt -138.24 155.53 48.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 171.773 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -42.57 -73.49 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.952 -175.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -95.09 -23.61 17.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.957 -174.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.572 ' HB3' ' HB2' ' A' ' 41' ' ' LYS . . . -83.91 -21.97 31.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.069 -162.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.56 ' HB2' ' H ' ' A' ' 41' ' ' LYS . . . -71.58 169.51 15.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.09 170.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.406 ' HA ' ' H ' ' A' ' 5' ' ' GLY . 32.6 m -126.48 168.82 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 -175.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.4 t -73.14 -166.6 0.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.115 -174.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -148.14 175.8 10.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -144.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -74.55 118.28 68.75 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.731 0.777 . . . . 0.0 110.907 176.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -55.81 137.13 77.65 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.726 2.284 . . . . 0.0 112.358 -177.038 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.444 HG21 ' HB3' ' A' ' 60' ' ' TYR . 45.6 p -140.83 157.99 44.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 172.707 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.0 t -146.04 139.72 26.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.129 176.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -126.37 168.12 14.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 178.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -73.34 -18.18 61.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.949 173.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -91.64 -12.31 34.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.831 178.213 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 143.71 -179.36 21.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.531 176.238 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.3 mt -79.04 139.92 38.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.781 0.324 . . . . 0.0 110.966 178.417 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 88.0 p -137.72 172.67 12.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.856 -177.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.828 ' HB3' ' HB3' ' A' ' 29' ' ' PHE . . . -122.75 140.62 52.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.042 178.276 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.444 ' HB3' HG21 ' A' ' 51' ' ' THR . 86.2 t80 -151.23 153.39 34.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.946 -175.02 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.44 54.88 7.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 -179.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 86.3 t -74.44 123.72 30.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 -177.011 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -123.14 129.95 52.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -173.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 71.9 t -98.96 125.61 52.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 78.4 t -100.79 130.82 24.51 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.58 0.705 . . . . 0.0 111.124 -179.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -63.9 121.47 9.18 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.69 2.26 . . . . 0.0 112.33 177.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 88.9 mt -99.52 -6.65 27.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 -176.158 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -126.59 141.27 51.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -138.3 149.25 45.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -178.086 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -101.49 144.9 29.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 33.6 p80 -153.84 171.09 19.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 178.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 65.1 t-80 -160.09 140.38 11.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.238 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 33.8 p80 -168.73 163.27 11.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.49 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 N--CA 1.458 -0.049 0 CA-C-O 120.841 0.353 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.81 139.23 48.86 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.171 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 70.8 mtm -128.5 157.34 41.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -119.9 148.21 43.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 -178.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -124.36 175.1 17.04 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.497 176.09 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 95.1 m -128.4 130.81 48.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.791 0.329 . . . . 0.0 111.228 176.066 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 95.7 mt -92.2 124.62 44.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.12 175.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.6 p -91.25 -28.73 17.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.158 -176.376 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.7 t -150.69 143.6 24.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.19 176.552 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 63.8 t90 -146.91 123.98 11.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -114.37 110.27 19.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -63.88 -46.14 86.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 177.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -75.32 -31.55 60.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -172.207 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -96.91 -25.39 15.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.825 -171.36 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.87 31.04 58.59 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.494 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -113.23 135.25 54.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.896 0.379 . . . . 0.0 110.932 173.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -149.24 151.38 23.52 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.472 175.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 16.6 m-30 -115.87 149.24 38.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.824 0.345 . . . . 0.0 110.916 176.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.6 mt -129.34 129.84 67.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.225 171.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -96.82 120.83 37.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.946 172.102 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -80.98 167.06 20.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.812 -173.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.11 -15.55 62.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 172.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -85.7 -11.4 53.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 174.21 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.96 6.11 59.35 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.48 173.109 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -86.58 133.2 33.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.771 0.32 . . . . 0.0 110.929 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 -95.47 111.98 23.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 176.226 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 70.4 mtt85 -119.19 148.22 43.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.892 -172.307 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -94.28 136.15 34.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.971 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.954 ' HB3' ' HB3' ' A' ' 59' ' ' ALA . 17.8 p90 -132.96 160.67 36.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -178.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 76.3 m80 -105.39 143.76 33.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.792 174.082 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.2 m -59.73 -23.65 26.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.204 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 45.2 pt -76.66 -15.65 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.109 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -96.97 18.23 15.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -177.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 57.3 t -108.5 136.39 44.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.173 176.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.64 -48.02 50.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.065 -177.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -135.05 79.89 49.5 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.559 0.695 . . . . 0.0 110.898 176.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -67.71 -16.97 47.49 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.658 2.238 . . . . 0.0 112.343 -178.192 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -68.51 -29.02 67.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 175.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.3 mt -93.86 -10.14 34.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 -178.023 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 40.2 mm -73.96 131.61 34.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 178.489 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.587 ' HB2' ' HB3' ' A' ' 44' ' ' ALA . 99.4 mttt -128.44 164.79 21.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.824 173.726 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -49.88 -69.97 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.985 -175.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -82.26 -28.78 31.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -176.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.587 ' HB3' ' HB2' ' A' ' 41' ' ' LYS . . . -92.12 13.32 19.28 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.079 -170.64 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.01 162.88 8.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.112 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.472 HG21 ' HA ' ' A' ' 64' ' ' VAL . 35.0 m -116.54 172.31 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 -176.511 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.0 t -83.19 -177.08 6.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 -177.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.423 ' HB3' HG22 ' A' ' 62' ' ' VAL . 45.4 p90 -152.55 166.78 30.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 -164.014 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -67.49 128.54 93.62 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.729 0.776 . . . . 0.0 110.844 176.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -66.65 141.58 60.86 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.659 2.239 . . . . 0.0 112.363 -173.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.0 t -159.67 157.57 29.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.8 t -149.02 140.3 23.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 -179.232 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -120.63 160.63 22.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.907 177.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -72.63 -19.59 61.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 175.036 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -89.2 -12.04 42.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 178.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 148.69 170.65 16.7 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.453 176.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.7 mt -78.79 141.83 37.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.84 0.352 . . . . 0.0 110.978 178.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 88.5 p -142.42 170.62 15.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.899 -174.432 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.954 ' HB3' ' HB3' ' A' ' 29' ' ' PHE . . . -119.47 139.85 51.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.072 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -147.95 143.58 27.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -173.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.16 63.44 2.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 178.471 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.423 HG22 ' HB3' ' A' ' 48' ' ' PHE . 89.0 t -71.73 119.69 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.121 174.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -113.8 118.93 35.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -166.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.472 ' HA ' HG21 ' A' ' 46' ' ' VAL . 85.0 t -92.84 125.16 45.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.117 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 92.8 t -94.82 129.32 36.38 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.563 0.697 . . . . 0.0 111.095 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -65.09 120.11 7.27 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.6 2.2 . . . . 0.0 112.352 177.122 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 93.0 mt -98.06 -14.12 20.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -174.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -126.94 142.85 51.44 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -136.71 150.46 48.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -177.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -101.38 145.0 29.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 57.2 p-80 -155.06 165.31 37.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 178.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 64.8 t-80 -160.01 142.16 13.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 33.2 p80 -169.03 161.35 10.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.844 179.299 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.686 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.83 0.348 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.83 143.34 57.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.211 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 76.4 mtm -131.33 154.62 48.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.298 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -120.91 159.75 24.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.915 179.6 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.42 176.88 34.48 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 178.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 93.2 m -130.36 131.62 45.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.784 0.325 . . . . 0.0 111.188 -179.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 88.6 mt -98.8 124.14 51.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.15 168.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.1 p -98.72 -24.75 14.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 -175.361 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 93.8 m -142.21 130.06 21.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.163 177.15 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 36.9 t90 -146.39 122.17 10.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 174.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -111.58 104.86 13.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 178.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -62.88 -40.59 98.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -178.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -76.04 -32.97 59.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 -174.023 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -98.06 -24.03 15.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -171.44 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.7 29.33 59.62 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.483 -177.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -109.98 120.57 42.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.893 0.378 . . . . 0.0 110.899 173.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -142.8 154.04 25.03 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.446 178.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -131.44 147.37 52.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.842 0.353 . . . . 0.0 110.848 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 91.3 mt -125.99 134.34 66.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.142 -179.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -103.02 121.78 43.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.939 172.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -89.16 168.77 12.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 -171.185 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.45 -22.4 66.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.82 172.308 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -83.63 -10.91 57.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.823 177.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.25 0.28 67.93 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.458 177.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -72.91 142.65 47.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.75 0.309 . . . . 0.0 110.874 178.421 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 72.5 m-80 -107.5 118.83 37.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.869 175.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.4 mtt85 -114.4 140.62 48.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.812 -175.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -99.49 133.08 44.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 171.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 1.109 ' HB3' ' HB3' ' A' ' 59' ' ' ALA . 38.0 p90 -134.75 161.7 34.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -175.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -108.14 150.14 27.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 172.133 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.7 m -59.12 -23.35 24.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.091 178.213 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.7 pt -76.88 -18.37 14.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.173 177.009 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -93.69 8.02 42.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 177.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 53.5 t -104.06 137.07 34.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.18 179.073 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.47 -41.07 73.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.043 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -134.6 80.66 50.06 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.628 0.728 . . . . 0.0 110.898 175.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.46 -18.31 54.54 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.666 2.244 . . . . 0.0 112.398 -178.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -69.81 -28.02 65.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.961 175.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 93.6 mt -94.99 -5.42 44.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.976 -174.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 22.5 mm -59.96 125.34 15.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.179 177.382 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.654 ' H ' ' HB2' ' A' ' 45' ' ' ALA . 74.5 mmtt -130.2 174.11 10.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 176.588 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -69.51 -83.71 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 175.153 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -85.2 -21.51 29.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.94 -176.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -85.67 -17.98 34.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.021 -166.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.654 ' HB2' ' H ' ' A' ' 41' ' ' LYS . . . -76.67 165.79 24.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 175.466 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.4 m -125.05 170.25 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.133 178.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.8 t -80.02 -168.86 1.78 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.161 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -156.87 178.48 10.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -156.172 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -53.96 134.54 57.82 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.698 0.761 . . . . 0.0 110.946 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -69.92 148.73 64.7 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.619 2.213 . . . . 0.0 112.349 -172.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.8 t -159.26 155.08 26.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.099 179.053 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.2 t -152.93 151.94 30.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.093 -178.298 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -144.64 149.33 35.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.505 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -75.19 -20.35 59.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 -175.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -86.81 -10.21 54.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 140.85 165.44 10.31 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.434 177.02 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.5 mt -72.65 129.85 39.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.846 0.355 . . . . 0.0 110.923 -176.56 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 92.4 p -148.59 160.25 43.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.882 177.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 1.109 ' HB3' ' HB3' ' A' ' 29' ' ' PHE . . . -119.32 136.59 54.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.064 -167.08 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -139.82 155.23 47.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 51.73 53.06 13.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.09 177.131 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 94.9 t -76.62 125.32 36.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.164 -175.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -117.24 127.67 54.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 -173.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 66.3 t -100.88 127.37 54.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 179.459 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 89.5 t -106.39 129.26 24.77 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.545 0.688 . . . . 0.0 111.135 -177.609 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -64.94 135.13 42.9 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.677 2.251 . . . . 0.0 112.339 178.081 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 87.6 mt -105.83 -2.09 23.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 -174.29 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -127.86 136.44 51.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -139.56 145.18 38.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 -177.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 62.1 t-80 -84.31 144.3 28.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 57.2 p-80 -155.16 165.04 37.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 178.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 64.2 t-80 -160.05 143.44 13.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 34.3 p80 -164.3 170.03 16.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 179.572 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.844 0.354 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.2 142.98 49.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 56.5 ttm -134.34 140.88 46.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -125.06 153.15 43.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.847 179.01 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -122.41 173.07 15.88 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.45 175.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.0 m -126.77 129.95 49.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.821 0.343 . . . . 0.0 111.186 174.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 90.2 mt -93.74 124.67 46.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.138 177.234 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.0 p -90.97 -26.94 19.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.165 -178.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.4 t -150.48 142.32 23.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.201 176.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 32.9 t90 -148.29 124.69 10.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.831 -178.158 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -120.01 107.57 13.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.834 178.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.75 -42.01 95.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 176.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -75.28 -31.73 60.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 -173.37 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -98.44 -24.25 15.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.967 -173.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.14 30.59 58.73 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.509 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -113.07 132.8 55.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.961 0.41 . . . . 0.0 110.945 172.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -149.75 151.98 23.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.423 175.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 16.0 m-30 -116.95 149.39 40.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.869 0.366 . . . . 0.0 110.838 176.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.9 mt -129.67 131.44 66.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.204 172.423 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -99.98 121.65 41.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 172.213 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -85.65 167.45 15.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -172.349 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -64.76 -19.65 65.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 172.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -82.78 -12.87 57.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.867 174.414 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.16 6.6 57.72 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.453 171.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -85.89 132.79 34.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.743 0.306 . . . . 0.0 110.904 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -95.1 110.93 22.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 174.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 69.9 mtt85 -116.53 146.12 42.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.879 -171.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -96.07 136.01 37.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.175 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 1.014 ' HB3' ' HB3' ' A' ' 59' ' ' ALA . 22.7 p90 -135.67 161.43 35.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.882 -178.403 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -105.08 144.78 31.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.802 174.355 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.2 m -59.85 -24.18 28.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.218 177.473 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 45.0 pt -76.61 -15.32 14.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 178.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -96.55 17.16 16.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 57.3 t -108.91 138.58 35.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 177.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.89 -47.57 58.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 -178.435 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -134.49 81.03 49.75 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.613 0.72 . . . . 0.0 110.959 175.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -67.01 -17.48 51.28 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.703 2.268 . . . . 0.0 112.359 -178.241 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -68.9 -28.24 66.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 176.349 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.7 mt -95.15 -9.91 32.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.913 -176.353 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 37.0 mm -71.12 128.23 34.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 178.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.532 ' HB2' ' HB3' ' A' ' 44' ' ' ALA . 74.5 mmtt -121.8 168.76 11.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 173.336 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -54.01 -69.86 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -82.87 -30.98 28.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -174.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.532 ' HB3' ' HB2' ' A' ' 41' ' ' LYS . . . -91.96 17.33 9.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 -171.193 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' A' ' 41' ' ' LYS . . . -64.77 163.32 14.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.068 -178.695 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.428 HG21 ' HA ' ' A' ' 64' ' ' VAL . 34.5 m -116.39 169.46 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 -173.768 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.8 t -85.82 -176.47 6.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.09 -175.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.4 ' HB3' HG22 ' A' ' 62' ' ' VAL . 37.0 p90 -154.92 168.65 26.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -164.805 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -72.0 135.84 82.58 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.635 0.731 . . . . 0.0 110.931 176.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -67.22 139.13 49.23 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 -174.307 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.4 t -159.67 155.34 25.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.167 178.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.8 t -147.98 142.34 26.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.148 -176.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -120.6 163.72 17.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.843 176.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -75.06 -18.67 60.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.948 174.342 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -90.2 -10.74 43.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 178.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 148.37 171.37 17.19 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.438 178.076 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.2 mt -77.89 141.19 39.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 0.0 110.994 178.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 88.2 p -140.33 169.6 17.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -174.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 1.014 ' HB3' ' HB3' ' A' ' 29' ' ' PHE . . . -121.8 139.81 53.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.074 -179.334 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -149.26 146.72 27.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 -174.353 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 56.12 60.39 3.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.142 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.4 HG22 ' HB3' ' A' ' 48' ' ' PHE . 84.3 t -73.84 120.36 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.179 176.214 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -114.21 121.02 42.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -167.477 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.428 ' HA ' HG21 ' A' ' 46' ' ' VAL . 88.3 t -92.83 123.3 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.158 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 88.1 t -94.53 128.34 40.49 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.574 0.702 . . . . 0.0 111.181 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -65.41 120.34 7.53 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.708 2.272 . . . . 0.0 112.343 177.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 94.2 mt -95.94 -13.53 23.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -175.017 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -126.77 142.78 51.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.806 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -136.58 150.35 48.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 -178.09 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -101.43 144.98 29.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.919 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 57.2 p-80 -155.37 165.03 37.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.858 178.554 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 64.9 t-80 -160.03 142.26 13.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 33.4 p80 -168.58 161.52 11.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.803 179.342 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.7 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 C--O 1.229 0.026 0 CA-C-O 120.789 0.328 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.07 144.84 50.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.095 179.372 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 75.0 mtm -141.81 148.11 38.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -178.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 25.4 p30 -121.59 171.84 8.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 178.588 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.83 174.71 30.07 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.459 178.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 96.4 m -130.96 130.68 43.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.803 0.335 . . . . 0.0 111.168 -178.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 97.1 mt -93.23 128.77 44.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.181 172.043 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.0 p -89.32 -47.8 7.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.146 -176.099 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 71.3 p -136.13 147.34 47.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.158 172.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 66.3 t90 -151.31 123.52 8.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.261 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -118.42 106.91 13.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.84 -177.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -62.73 -50.33 71.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.953 -175.591 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -70.33 -28.33 65.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.822 -172.623 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -97.28 -17.94 19.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -175.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.11 42.22 29.77 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.514 174.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -120.61 143.62 48.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.896 0.379 . . . . 0.0 110.96 175.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -149.63 147.48 17.83 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.426 167.285 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -132.49 142.11 49.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.843 0.354 . . . . 0.0 110.892 -177.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 95.5 mt -124.19 136.68 59.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.258 -175.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -102.17 120.77 41.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 176.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -85.36 168.25 14.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 -173.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.61 -20.16 63.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 172.528 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -83.85 -12.89 54.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.801 175.042 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.12 4.82 62.74 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 173.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -81.2 136.92 35.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.776 0.322 . . . . 0.0 110.896 179.202 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -97.67 111.42 23.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 176.34 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 71.7 mtt85 -115.73 145.17 43.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.817 -172.188 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -94.26 138.89 31.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 178.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.577 ' HB3' ' HB3' ' A' ' 59' ' ' ALA . 41.5 p90 -132.27 160.74 35.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.891 -178.6 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.471 ' HB3' HG12 ' A' ' 32' ' ' ILE . 80.0 m80 -106.69 142.13 36.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 172.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.6 m -64.4 -22.0 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.093 178.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.471 HG12 ' HB3' ' A' ' 30' ' ' HIS . 46.0 pt -75.78 -17.22 15.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 177.593 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -93.82 17.8 11.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.998 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.503 ' HA ' ' HB ' ' A' ' 62' ' ' VAL . 71.6 t -111.46 136.82 46.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.159 -178.142 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.9 -45.32 74.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.072 -177.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -138.65 82.43 21.7 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.637 0.732 . . . . 0.0 110.931 175.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.58 -14.46 44.94 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.743 2.295 . . . . 0.0 112.337 -177.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -70.54 -28.88 65.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.918 177.039 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.6 mt -95.66 -6.42 40.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.961 -173.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 38.2 mm -62.66 135.37 27.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 177.563 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.55 ' O ' ' HB2' ' A' ' 45' ' ' ALA . 99.4 mttt -128.0 155.04 44.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 175.225 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -51.9 -72.75 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -174.239 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -84.98 -29.32 25.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.86 -176.125 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.58 22.86 4.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.115 -172.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.55 ' HB2' ' O ' ' A' ' 41' ' ' LYS . . . -65.37 170.17 5.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.079 -171.541 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.411 HG21 ' HA ' ' A' ' 64' ' ' VAL . 35.9 m -106.43 -155.06 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 -173.71 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.0 t -113.72 163.22 15.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.166 -156.165 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -152.66 165.75 34.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.861 -168.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -98.52 127.51 35.75 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.692 0.758 . . . . 0.0 110.892 169.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -69.1 133.88 27.93 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.637 2.225 . . . . 0.0 112.36 -177.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 81.8 p -140.2 160.92 38.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.187 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.9 m -132.67 135.34 45.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.109 -174.113 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -127.28 169.57 13.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.877 176.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -69.47 -14.81 63.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 174.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -94.68 -7.33 41.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 135.56 -174.91 21.06 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.469 178.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.9 mt -79.59 141.38 36.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.81 0.338 . . . . 0.0 110.976 -179.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 87.9 p -144.42 170.16 16.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -172.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.577 ' HB3' ' HB3' ' A' ' 29' ' ' PHE . . . -124.17 143.18 50.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.022 -176.541 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -141.87 153.98 44.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -176.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 57.51 59.35 3.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.204 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.503 ' HB ' ' HA ' ' A' ' 34' ' ' VAL . 91.0 t -78.81 124.7 37.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.127 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -120.2 128.23 53.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.874 -171.036 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.411 ' HA ' HG21 ' A' ' 46' ' ' VAL . 91.9 t -89.04 122.38 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.208 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 97.3 t -96.22 130.18 31.71 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.655 0.74 . . . . 0.0 111.132 176.405 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -61.7 110.23 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.652 2.234 . . . . 0.0 112.378 175.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 95.1 mt -94.93 -16.2 23.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.842 -174.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -117.83 140.31 49.87 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 178.119 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -135.96 148.01 48.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -178.134 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 64.6 t-80 -78.22 144.83 35.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 -155.02 164.99 38.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 178.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 64.2 t-80 -159.96 143.51 14.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 57.3 p-80 -162.73 169.68 19.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.868 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.704 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.2 mtp . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.836 0.35 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.35 155.57 28.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.172 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 74.9 mtm -130.32 154.97 47.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.888 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -107.57 146.0 32.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.189 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -160.05 -167.91 21.28 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.495 -176.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.7 t -147.0 136.99 23.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.773 0.32 . . . . 0.0 111.153 176.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 89.5 mt -82.91 126.15 40.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.104 174.359 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.7 p -92.2 -29.93 16.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.194 -169.411 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.3 t -159.59 147.75 17.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 178.397 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 43.9 p90 -139.85 125.32 19.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.957 176.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -109.24 101.72 10.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.837 -176.329 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -63.64 -35.63 81.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -177.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -68.08 -31.17 70.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.814 -176.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -100.34 -18.83 16.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -177.048 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.05 14.6 78.78 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.445 -177.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -112.62 155.43 24.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.941 0.4 . . . . 0.0 110.863 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -150.27 168.66 30.24 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.47 171.399 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.428 ' CE2' ' HB3' ' A' ' 28' ' ' TYR . 94.5 m-85 -129.59 139.96 51.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.847 0.355 . . . . 0.0 110.844 -178.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.8 tt -134.39 139.54 47.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.06 -172.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -94.02 124.88 38.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 178.233 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -79.78 160.11 26.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 -175.034 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 50.8 tt0 -55.71 -23.18 27.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 167.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -85.29 -9.43 57.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 178.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.86 3.68 65.82 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.56 175.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -83.92 149.91 26.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.912 0.387 . . . . 0.0 110.874 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 -100.27 115.39 29.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 175.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 67.5 mtt85 -120.32 144.9 47.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -177.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.428 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 32.1 p90 -106.84 152.18 24.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 -177.155 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -146.83 158.53 43.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.931 -179.402 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 66.6 t-80 -110.97 147.34 34.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 171.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.8 t -51.12 -40.3 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.103 -179.066 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 85.8 mt -68.72 -28.24 39.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.059 178.252 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -84.89 1.65 46.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.99 -176.315 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.642 HG13 ' HB ' ' A' ' 62' ' ' VAL . 95.5 t -107.82 135.44 46.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.144 -179.305 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.1 -42.24 76.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.052 -177.127 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.444 ' HA ' HD22 ' A' ' 36' ' ' ASN . 9.5 m120 -78.27 154.29 79.53 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.603 0.716 . . . . 0.0 110.842 175.073 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.416 ' C ' ' H ' ' A' ' 39' ' ' LEU . 43.8 Cg_endo -70.69 169.01 21.13 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.743 2.295 . . . . 0.0 112.358 -175.216 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 49.1 p30 -70.57 9.66 0.61 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 -177.236 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.416 ' H ' ' C ' ' A' ' 37' ' ' PRO . 95.5 mt -82.41 -2.64 53.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 174.501 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.517 HD11 HG11 ' A' ' 34' ' ' VAL . 33.4 pt -91.85 14.42 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 -179.602 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.886 ' O ' ' HD2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -80.03 98.43 7.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -178.2 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -171.26 165.3 7.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.954 -173.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -74.77 -30.98 61.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.828 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.91 -6.12 55.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 -173.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.38 154.93 36.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.084 177.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.0 m -119.57 172.52 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.221 -173.228 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.2 t -100.24 -163.34 1.02 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.091 -172.37 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -165.87 172.54 11.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 -156.002 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -55.25 129.96 68.49 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.644 0.735 . . . . 0.0 110.886 178.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -76.34 153.67 35.76 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.64 2.226 . . . . 0.0 112.359 -172.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 59.0 p -136.42 156.92 47.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 174.266 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 85.4 m -133.36 130.99 39.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.196 -175.039 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 26.5 p30 -133.88 -178.53 5.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 173.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -73.51 -16.85 61.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -174.312 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -92.8 -7.23 47.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -177.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 135.02 -173.01 21.79 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.455 178.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.0 mt -79.71 138.86 37.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.863 0.363 . . . . 0.0 110.809 178.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 98.8 p -144.58 172.25 13.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.847 -169.605 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -132.28 135.41 46.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.151 177.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -125.79 154.77 42.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.012 177.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.02 45.53 27.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.072 174.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.642 ' HB ' HG13 ' A' ' 34' ' ' VAL . 97.0 t -73.25 124.95 31.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.119 -170.231 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -115.69 131.8 56.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -176.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 93.7 t -108.57 133.29 54.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.127 -177.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.8 m -89.37 148.79 41.35 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.627 0.727 . . . . 0.0 111.158 -171.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -68.24 120.34 7.31 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.72 2.28 . . . . 0.0 112.402 175.314 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 96.4 mt -98.24 -19.06 18.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.938 -177.289 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -74.63 130.02 38.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.794 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 61.9 t-80 -63.64 138.07 58.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.835 176.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.7 p80 -59.96 167.22 2.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.359 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -125.07 160.71 28.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.818 -178.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 55.7 p-80 -160.86 173.17 15.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -178.249 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -127.0 146.69 50.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 178.32 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 85.0 t60 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 -178.658 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.1 mtp . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.795 0.331 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -154.96 154.97 33.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.071 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 75.0 mtm -128.47 154.94 45.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.967 179.016 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -105.37 150.99 24.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.864 -176.09 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -161.51 -166.63 20.62 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.426 176.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.2 t -146.93 139.71 25.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.801 0.334 . . . . 0.0 111.105 174.141 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 95.1 mt -83.85 125.01 40.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.069 176.425 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 80.7 p -93.88 -29.84 15.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 -170.219 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.1 t -157.63 154.87 29.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 176.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 32.8 t-105 -139.87 125.12 18.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -176.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -112.12 85.66 2.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.8 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -62.1 -36.55 82.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -177.458 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -65.69 -26.16 67.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -102.58 -13.48 17.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.93 23.1 77.14 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.476 -178.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -116.0 154.37 29.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.892 0.377 . . . . 0.0 110.864 -177.155 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -143.76 157.36 27.02 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.461 166.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.494 ' CE2' ' HB3' ' A' ' 28' ' ' TYR . 73.1 m-85 -123.61 136.94 54.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.871 0.367 . . . . 0.0 110.87 -178.724 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.9 tt -133.46 138.17 51.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 -171.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -96.47 124.9 40.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -178.412 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -85.09 152.29 23.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.976 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -69.6 -7.29 37.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.838 171.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -83.18 -10.94 58.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 171.314 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.16 1.03 59.61 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.456 172.226 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -97.66 141.57 30.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.891 0.377 . . . . 0.0 110.833 178.325 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -97.3 126.91 42.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.949 175.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 75.9 mtt85 -124.39 144.49 50.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -175.346 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.494 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 43.5 p90 -110.52 152.03 26.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 -178.635 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -148.35 156.56 42.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.9 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 66.0 t-80 -108.03 147.18 31.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 176.285 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 66.9 t -53.15 -38.29 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.161 -179.496 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 90.0 mt -73.21 -28.99 26.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.101 178.062 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -88.72 5.43 43.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 -171.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.9 m -124.27 156.78 31.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.55 -42.54 52.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.078 -174.192 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.462 ' HB3' HG21 ' A' ' 40' ' ' ILE . 1.0 OUTLIER -85.92 150.26 52.5 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.582 0.706 . . . . 0.0 110.865 -179.55 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.403 ' C ' ' H ' ' A' ' 39' ' ' LEU . 55.4 Cg_endo -76.0 177.85 8.21 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.752 2.302 . . . . 0.0 112.327 -170.512 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 53.3 p30 -70.05 7.96 0.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.956 -177.489 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.403 ' H ' ' C ' ' A' ' 37' ' ' PRO . 96.2 mt -80.05 -3.98 50.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.947 173.78 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.462 HG21 ' HB3' ' A' ' 36' ' ' ASN . 36.8 pt -89.55 12.59 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 -179.18 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.804 ' O ' ' HD2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -80.02 98.68 7.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -170.5 165.02 8.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 -177.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -73.06 -33.05 65.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -178.085 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -84.68 -0.15 52.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 -173.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.15 157.64 21.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.222 178.576 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.5 m -115.98 166.69 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.116 -171.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.0 t -101.54 -164.08 1.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 -175.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -163.72 171.56 15.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.952 -159.164 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -53.67 128.95 54.21 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.637 0.732 . . . . 0.0 110.893 177.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -77.3 154.7 32.31 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.654 2.236 . . . . 0.0 112.392 -171.035 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 64.7 p -136.47 159.69 41.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.122 175.387 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.0 m -134.98 130.15 35.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.167 -176.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 27.9 p30 -130.73 -174.32 3.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 175.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -74.8 -14.58 60.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.834 -175.62 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -93.82 -5.0 49.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 126.12 -164.87 19.54 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.463 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 94.4 mt -78.12 139.69 39.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.871 0.367 . . . . 0.0 110.846 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 89.5 p -146.88 173.62 12.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -172.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -132.76 136.36 46.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -128.04 155.61 44.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 177.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.0 45.64 25.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 174.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 93.5 t -79.31 127.74 38.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.199 -175.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -130.11 144.17 51.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.846 -178.661 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 98.7 t -96.21 129.94 45.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 -178.66 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 22.3 m -97.94 151.81 37.75 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.671 0.748 . . . . 0.0 111.143 -174.248 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -63.37 112.08 1.64 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.712 2.275 . . . . 0.0 112.327 177.224 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 94.0 mt -93.39 -14.62 26.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -62.51 130.64 46.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 178.086 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 -64.23 137.82 58.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.823 176.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 31.3 p80 -60.06 167.94 2.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.475 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -125.99 156.7 39.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -177.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 57.3 p-80 -164.86 173.85 11.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.818 -177.192 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -126.74 147.15 50.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 178.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 85.3 t60 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 -178.81 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.4 mtp . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.762 0.315 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.87 -34.55 10.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.02 -174.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.7 ptp -144.57 164.53 30.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.828 -177.051 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -104.3 158.96 16.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.963 -179.218 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.716 ' HA3' HD11 ' A' ' 19' ' ' ILE . . . -121.08 162.38 14.83 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.558 -178.443 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 93.8 m -120.43 140.52 51.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.744 0.307 . . . . 0.0 111.079 172.527 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.427 HD11 ' HB2' ' A' ' 10' ' ' TRP . 18.7 tt -74.62 134.06 30.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.216 -178.197 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.418 HG22 HG23 ' A' ' 9' ' ' THR . 91.6 m -102.82 -55.14 2.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.08 164.043 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.418 HG23 HG22 ' A' ' 8' ' ' THR . 72.7 p -139.63 152.9 47.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.128 171.458 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.427 ' HB2' HD11 ' A' ' 7' ' ' ILE . 17.3 t90 -127.92 120.56 27.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 173.298 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -110.64 82.39 1.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 177.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.76 -42.05 97.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.962 -173.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -69.4 -23.68 63.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.802 -176.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -96.97 -18.43 19.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.929 -179.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.99 33.64 54.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.532 -177.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -136.55 159.65 41.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.812 0.339 . . . . 0.0 110.841 178.097 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -157.09 168.94 34.12 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.508 170.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -114.95 136.64 52.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.766 0.317 . . . . 0.0 110.88 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.716 HD11 ' HA3' ' A' ' 5' ' ' GLY . 7.3 tp -124.54 135.67 63.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 -171.759 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -97.67 122.82 41.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 172.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 22' ' ' GLU . 57.0 t0 -78.05 146.91 35.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.946 179.004 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.441 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 94.3 mt-10 -57.27 -21.66 36.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 171.378 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 73.8 m-80 -80.88 -7.2 59.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.954 176.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.19 -0.11 68.51 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.463 177.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -86.88 130.23 34.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.798 0.332 . . . . 0.0 110.857 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 73.4 m-80 -94.18 128.93 40.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 178.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 96.2 mtm-85 -134.06 160.03 38.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.817 -174.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -95.63 134.29 38.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 177.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.403 ' HD1' ' HA ' ' A' ' 29' ' ' PHE . 2.0 m-30 -109.96 134.35 52.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.877 176.454 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -105.35 143.26 33.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 176.142 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.6 p -57.27 -25.4 23.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.18 177.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.9 mt -76.66 -31.6 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 175.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -94.46 9.82 36.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.971 -168.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.8 m -108.02 148.22 12.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.089 175.116 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.2 -34.97 78.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.125 -177.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.418 ' HB3' ' HB2' ' A' ' 39' ' ' LEU . 98.6 m-20 -107.88 85.39 2.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.631 0.729 . . . . 0.0 110.912 174.53 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -68.64 -60.69 0.08 OUTLIER 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.655 2.237 . . . . 0.0 112.347 178.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -66.79 -30.77 71.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 -177.135 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.418 ' HB2' ' HB3' ' A' ' 36' ' ' ASN . 91.3 mt -97.32 15.75 22.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 18.8 tt -56.01 132.7 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 176.229 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -138.54 176.37 8.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.929 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -39.82 130.32 1.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 172.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -74.25 3.84 6.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.817 -174.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.12 -5.31 17.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.113 177.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -148.33 81.98 1.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 171.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.0 m -140.54 160.02 24.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.155 177.173 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.2 t -140.41 144.9 36.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 169.311 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -154.87 170.01 22.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -167.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -110.67 134.03 21.02 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.611 0.72 . . . . 0.0 110.826 179.149 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.73 140.44 39.02 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.69 2.26 . . . . 0.0 112.347 -178.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 70.8 p -140.95 162.55 35.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 178.379 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.2 m -127.43 129.58 47.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.157 -178.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -120.68 99.99 6.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 175.304 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 59.98 -120.04 0.93 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -173.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -96.58 4.59 51.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 177.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -106.08 137.35 13.77 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.454 -177.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 99.4 mt -84.26 141.66 30.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.837 0.351 . . . . 0.0 110.866 177.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 78.4 p -147.4 175.73 10.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 176.479 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -148.46 142.64 26.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.13 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -140.05 175.88 9.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.991 -178.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 59.71 54.13 4.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.079 -172.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 52.8 t -91.89 105.43 16.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.133 -175.479 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -105.18 136.57 44.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -177.242 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 94.5 t -85.32 125.76 40.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.099 177.623 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 29.1 m -118.85 148.19 43.97 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.614 0.721 . . . . 0.0 111.09 -170.033 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_endo -74.21 152.68 45.3 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.587 2.192 . . . . 0.0 112.323 177.302 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 94.9 mt -104.9 5.35 32.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 176.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -156.07 159.88 39.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 65.7 t-80 -70.09 135.82 49.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 178.382 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -120.61 153.45 36.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 178.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -117.23 144.99 44.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -178.038 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -134.86 153.01 52.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -178.084 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -88.03 150.0 23.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 85.3 t60 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.835 -179.676 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 CA--C 1.526 0.023 0 CA-C-O 120.827 0.346 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.45 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . . . -92.59 -13.01 30.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 -171.678 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 62.4 tpp -149.86 151.46 33.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.888 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 17.0 p30 -129.92 162.55 28.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.885 171.354 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -172.33 -163.45 26.21 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.48 -175.195 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.0 t -130.35 141.56 50.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 0.0 111.138 -179.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 87.8 mt -83.37 124.96 40.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.142 -172.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 78.4 p -103.49 -28.9 11.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.226 -178.476 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 89.4 m -148.45 125.0 11.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.229 174.531 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -99.19 135.47 40.54 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.87 -175.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.627 ' CD2' ' O ' ' A' ' 11' ' ' PHE . 45.5 p90 -80.03 80.71 6.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.977 178.724 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -69.06 -68.83 0.37 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -178.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -100.21 -33.47 10.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 -174.499 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -90.4 -23.09 21.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -158.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.73 23.64 66.66 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.541 -175.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.436 ' C ' ' HB3' ' A' ' 11' ' ' PHE . 87.0 m-85 -128.71 116.2 19.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.863 0.363 . . . . 0.0 110.825 171.661 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -133.95 174.23 20.93 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 175.121 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -135.55 144.03 46.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.788 0.328 . . . . 0.0 110.871 -176.264 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.5 tp -130.33 136.53 58.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.181 -179.265 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -100.07 119.97 39.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 176.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 48.8 p30 -94.54 -178.82 4.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 -170.02 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -64.28 -20.2 65.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -90.13 -9.47 48.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -176.205 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.58 7.27 65.11 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.396 177.137 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -90.07 168.21 12.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.83 0.347 . . . . 0.0 110.863 -178.256 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -115.02 116.35 28.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 178.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 68.2 mtt85 -113.66 155.01 26.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -178.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -82.38 138.23 34.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.996 -172.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.6 m-30 -109.17 132.49 54.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 169.49 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -134.46 144.41 48.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.818 175.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.6 p -56.91 -28.98 29.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.076 -177.098 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.415 HG13 ' HG3' ' A' ' 33' ' ' LYS . 47.9 pt -77.79 -18.45 13.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.129 179.176 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.439 ' HB3' ' HA ' ' A' ' 60' ' ' TYR . 97.3 mttt -105.32 -4.17 21.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.329 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.478 HG22 ' HB ' ' A' ' 62' ' ' VAL . 86.1 t -106.51 123.38 61.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 177.493 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.81 -40.32 63.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 -171.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -85.06 155.64 60.71 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.646 0.736 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_exo -54.61 140.28 75.9 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.759 2.306 . . . . 0.0 112.362 -170.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 58.4 p30 -65.68 -5.29 8.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.842 174.076 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 98.4 mt -85.52 -8.78 58.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.955 175.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.3 mm -108.84 112.46 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.109 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.493 ' O ' ' HB2' ' A' ' 42' ' ' LYS . 65.6 pttt -130.64 154.1 48.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.972 179.535 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 41' ' ' LYS . 84.4 tttt 173.72 109.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.917 178.251 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 57.2 p-10 -74.55 -7.32 52.72 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.837 -174.074 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.438 ' HB3' ' HE2' ' A' ' 42' ' ' LYS . . . -80.83 -7.22 59.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.054 -176.753 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -166.93 125.76 1.4 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.042 176.438 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.0 p -162.54 145.0 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.095 169.181 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 58.4 m -132.03 140.62 48.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.102 178.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -154.75 168.14 27.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -171.069 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -107.8 127.4 27.78 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.651 0.738 . . . . 0.0 110.915 172.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.45 ' HD2' ' HB3' ' A' ' 2' ' ' ALA . 85.3 Cg_endo -81.55 158.71 19.34 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.665 2.244 . . . . 0.0 112.294 -173.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.1 p -135.58 170.79 15.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 171.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.4 m -140.88 122.43 15.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 169.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' ' 56' ' ' GLY . 57.3 m-80 -120.29 162.89 18.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -176.581 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -67.48 -26.85 66.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 175.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -96.14 -10.28 28.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.427 ' O ' ' HB2' ' A' ' 53' ' ' ASN . . . 138.36 148.44 5.33 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.474 175.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.841 ' H ' HD13 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -71.75 157.11 38.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.841 0.353 . . . . 0.0 110.888 -172.654 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 85.7 p -148.59 176.68 10.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 178.086 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -130.44 147.49 52.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.129 -176.49 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.439 ' HA ' ' HB3' ' A' ' 33' ' ' LYS . 26.0 p90 -145.09 174.08 11.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.943 179.42 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.14 49.44 17.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.082 -178.045 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.478 ' HB ' HG22 ' A' ' 34' ' ' VAL . 50.9 t -90.1 133.52 31.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.084 -171.752 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -123.44 124.93 43.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.949 175.423 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 97.5 t -111.69 136.51 47.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 174.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.7 m -67.59 150.73 97.69 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.629 0.728 . . . . 0.0 111.207 -170.471 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -66.32 150.72 84.46 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.544 2.162 . . . . 0.0 112.397 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 76.7 mt -101.38 40.6 1.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -176.003 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 62.4 38.15 13.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -177.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -134.88 66.19 1.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 173.046 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -165.23 140.05 5.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.843 -177.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -158.66 137.38 11.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 177.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 56.7 p-80 -155.65 165.04 37.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.801 -178.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 67.6 m170 55.28 45.37 25.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.815 -177.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 83.8 t60 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.89 -178.412 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.864 0.364 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.456 ' HA3' ' HE1' ' A' ' 48' ' ' PHE . . . -169.42 -171.19 34.82 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.466 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.9 t -140.15 148.87 42.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.77 0.319 . . . . 0.0 111.106 -176.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 94.6 mt -80.2 123.2 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 177.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.0 p -101.06 -33.5 10.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.196 -177.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.3 m -142.34 146.3 34.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 174.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 63.1 t-105 -140.07 126.61 20.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 -175.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -115.17 84.92 2.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 175.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -62.7 -26.0 68.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.91 -176.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -70.41 -30.09 66.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 177.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -102.92 -10.74 18.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -177.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.15 34.61 51.4 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.501 170.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -156.53 168.79 26.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.932 0.396 . . . . 0.0 110.841 170.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -148.85 -176.61 22.35 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 174.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -117.71 137.09 52.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.813 0.339 . . . . 0.0 110.893 -173.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 98.3 mt -134.47 139.94 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 -177.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -89.59 121.92 32.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -177.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -74.95 146.76 41.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.821 -177.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -51.57 -22.0 2.95 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 170.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 75.1 m-80 -89.43 -4.57 57.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -178.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.34 3.71 64.85 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.514 177.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -86.11 124.92 33.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.841 0.353 . . . . 0.0 110.837 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -94.05 109.61 21.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.951 178.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -138.63 163.97 30.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 -172.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -108.36 146.75 32.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -171.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -126.96 145.8 50.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.92 175.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -104.42 146.24 29.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -173.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.4 m -60.03 -25.23 32.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.085 -176.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 86.6 mt -69.72 -29.26 40.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 174.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -86.49 4.11 41.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 -176.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 98.2 t -98.53 125.89 51.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.97 -38.9 79.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 -178.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -69.45 152.16 96.5 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.625 0.726 . . . . 0.0 110.871 170.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -53.0 137.86 62.01 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.645 2.23 . . . . 0.0 112.353 -174.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 59.1 p30 -66.95 -5.32 12.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.845 176.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.2 mt -89.97 -5.29 56.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 177.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 87.8 mt -119.96 114.52 44.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 -178.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -133.77 149.7 51.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.419 ' HG3' ' H ' ' A' ' 44' ' ' ALA . 56.5 tptt -167.79 134.99 2.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 172.079 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 57.4 p-10 -87.03 0.3 55.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 -167.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.449 ' O ' ' HB2' ' A' ' 45' ' ' ALA . . . -84.49 -4.59 59.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.071 -165.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 44' ' ' ALA . . . 174.85 126.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 -176.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 92.2 t -135.63 145.62 31.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.073 171.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 89.9 m -120.95 132.02 54.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.177 168.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.456 ' HE1' ' HA3' ' A' ' 5' ' ' GLY . 51.4 p90 -155.32 166.71 32.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -166.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -96.85 143.94 27.0 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.606 0.717 . . . . 0.0 110.908 173.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -64.33 140.72 71.7 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.699 2.266 . . . . 0.0 112.353 178.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.7 t -160.8 178.55 9.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.13 -170.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 57.1 p -132.35 173.33 11.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 170.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 51.1 p30 -40.08 156.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 169.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 50.6 p-10 -76.91 11.58 1.7 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 -167.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -85.77 -28.28 24.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 173.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -112.33 -103.57 2.67 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.519 169.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.3 mt -73.96 149.78 41.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.806 0.336 . . . . 0.0 110.918 -170.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 97.5 p -104.47 162.99 12.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 178.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -130.5 145.64 51.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.096 -178.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -159.46 166.62 30.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 177.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.46 53.99 9.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.092 179.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 95.3 t -88.04 140.12 16.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.159 172.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -125.45 123.31 38.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -174.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 92.7 t -106.11 133.47 50.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.185 175.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.432 ' HB ' ' HB3' ' A' ' 45' ' ' ALA . 88.3 t . . . . . 0 C--N 1.33 -0.257 0 CA-C-O 121.644 0.735 . . . . 0.0 111.176 -169.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.922 0.391 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -160.03 -177.55 33.22 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.506 -178.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.8 t -136.44 149.1 48.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.751 0.31 . . . . 0.0 111.126 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.416 HG13 HG21 ' A' ' 46' ' ' VAL . 94.1 mt -80.98 121.11 33.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.075 178.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.7 m -100.37 -37.91 8.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.128 -176.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 89.9 m -138.84 140.15 38.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.183 -177.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 40.9 t-105 -142.06 126.74 18.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.978 -175.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -117.62 89.14 3.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.861 170.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -62.43 -25.34 67.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.89 -176.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -69.55 -28.88 66.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -103.21 -13.49 16.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.91 -178.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.42 32.68 68.08 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.496 -174.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.429 ' CZ ' ' HB3' ' A' ' 28' ' ' TYR . 86.7 t80 -143.01 135.11 27.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.928 0.394 . . . . 0.0 110.895 -167.149 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -151.5 -178.78 26.6 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.5 -173.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -134.87 135.01 41.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.775 0.321 . . . . 0.0 110.939 -173.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 92.4 mt -129.94 136.27 59.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.16 -171.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -106.07 122.2 45.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.948 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -82.1 139.39 34.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.833 177.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.68 -13.04 52.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 176.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -94.48 7.43 45.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 177.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.6 -1.16 75.14 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.535 171.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -85.45 90.86 8.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.858 0.361 . . . . 0.0 110.911 178.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -101.66 112.73 25.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.964 -173.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.444 ' HE ' ' HA ' ' A' ' 52' ' ' THR . 88.6 mmt-85 -139.07 156.84 46.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 -163.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.429 ' HB3' ' CZ ' ' A' ' 16' ' ' PHE . 88.4 m-85 -89.99 141.08 29.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 174.122 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -134.2 150.28 51.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.888 -178.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -110.16 147.91 32.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 177.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.4 m -59.18 -25.29 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.052 -176.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.1 mt -66.87 -29.93 47.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.148 176.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -86.09 5.17 34.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -176.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.46 ' HA ' ' HB ' ' A' ' 62' ' ' VAL . 54.6 t -94.67 120.19 43.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.045 -179.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.8 -40.13 76.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.093 -178.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -68.52 156.48 90.52 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.616 0.722 . . . . 0.0 110.886 170.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -49.72 126.78 17.17 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.625 2.217 . . . . 0.0 112.369 -175.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 58.9 p30 -67.82 -4.7 13.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.817 176.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.7 mt -87.56 -5.72 58.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.825 176.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 89.2 mt -119.36 114.18 43.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.094 -178.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -129.0 142.17 51.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.861 176.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.423 ' HG3' ' H ' ' A' ' 44' ' ' ALA . 56.3 tptt -169.13 130.49 1.16 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.916 173.065 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 56.3 p30 -81.06 4.37 20.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.86 -171.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.509 ' O ' ' HB2' ' A' ' 45' ' ' ALA . . . -81.11 -4.89 56.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.104 -170.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.509 ' HB2' ' O ' ' A' ' 44' ' ' ALA . . . 173.95 125.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.169 178.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.416 HG21 HG13 ' A' ' 7' ' ' ILE . 53.6 t -135.08 144.96 32.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.069 170.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.1 m -127.59 137.25 52.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.151 169.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 42.5 p90 -161.34 171.81 17.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -173.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -91.0 146.74 34.28 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.598 0.713 . . . . 0.0 110.917 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -63.12 141.66 83.97 Favored 'Trans proline' 0 N--CA 1.464 -0.227 0 C-N-CA 122.692 2.262 . . . . 0.0 112.433 174.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.6 t -164.01 173.02 13.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.179 -167.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.444 ' HA ' ' HE ' ' A' ' 27' ' ' ARG . 61.6 p -133.78 169.21 17.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.169 167.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -40.26 150.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.883 172.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 50.5 p-10 -76.4 14.18 0.81 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -166.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -79.6 -30.57 41.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 170.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -110.89 -88.76 1.88 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.543 164.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.413 ' HB2' ' H ' ' A' ' 52' ' ' THR . 98.5 mt -78.96 154.0 29.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.752 0.31 . . . . 0.0 110.906 -172.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 92.7 p -98.04 161.6 13.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 174.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -124.64 136.8 54.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.059 -179.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 53.5 p90 -161.91 168.43 22.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -176.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.99 54.43 8.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.117 176.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.46 ' HB ' ' HA ' ' A' ' 34' ' ' VAL . 94.9 t -88.62 138.53 19.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 169.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -127.35 119.26 25.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.969 -175.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 89.3 t -107.31 134.44 49.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 177.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 76.9 t . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 121.651 0.738 . . . . 0.0 111.201 -169.96 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.898 0.38 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.69 -178.36 36.46 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.0 t -128.37 142.22 51.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.707 0.289 . . . . 0.0 111.101 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.431 HG13 HG21 ' A' ' 46' ' ' VAL . 97.2 mt -77.97 124.64 36.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 177.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 92.6 m -93.6 -39.19 10.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.182 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.432 HG22 ' HB3' ' A' ' 18' ' ' PHE . 11.2 t -149.67 148.84 29.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.178 178.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 52.4 t-105 -139.99 128.64 23.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.915 -172.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -118.86 90.1 3.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 176.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -65.19 -24.5 67.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.9 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -73.79 -30.51 62.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.911 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -100.47 -14.14 18.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.95 38.4 64.56 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.556 -176.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -152.21 142.83 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.964 0.411 . . . . 0.0 110.857 -166.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -159.26 -179.79 34.32 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.443 -177.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.432 ' HB3' HG22 ' A' ' 9' ' ' THR . 50.3 t80 -132.42 134.54 45.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 110.919 -172.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.408 HD13 HG11 ' A' ' 46' ' ' VAL . 98.7 mt -130.34 140.11 49.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.18 -172.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -104.86 124.08 48.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 178.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -79.71 137.25 36.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.816 -178.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -58.45 -17.21 18.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 173.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 75.1 m-80 -82.58 -2.2 53.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 177.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.47 -2.21 70.36 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.51 174.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -88.36 124.52 34.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.81 0.338 . . . . 0.0 110.87 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -99.54 122.94 43.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.958 -178.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -138.62 148.8 44.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 -169.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -98.81 142.17 30.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 173.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -131.54 145.42 51.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.842 -175.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -111.65 144.88 40.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.836 177.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 32.4 m -60.23 -22.39 24.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 -172.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 71.6 mt -62.9 -31.07 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -90.56 6.94 41.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 -178.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 54.7 t -100.3 122.4 52.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.13 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.58 -38.83 81.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.078 -176.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -73.63 154.88 89.49 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.646 0.736 . . . . 0.0 110.934 172.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.515 ' HB2' HG12 ' A' ' 40' ' ' ILE . 93.1 Cg_exo -54.07 138.6 70.95 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.694 2.263 . . . . 0.0 112.355 -171.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 60.0 p30 -60.82 -8.41 3.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 176.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.6 mt -85.16 -2.98 58.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 178.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.515 HG12 ' HB2' ' A' ' 37' ' ' PRO . 49.3 mm -105.27 112.65 39.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 -174.069 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -126.16 139.35 53.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 171.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -166.53 135.22 2.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 174.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 57.0 p-10 -91.01 -3.04 57.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.907 -166.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.435 ' O ' ' HB2' ' A' ' 45' ' ' ALA . . . -87.68 -3.91 58.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 -166.174 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.466 ' HB3' HG21 ' A' ' 65' ' ' VAL . . . 174.41 126.01 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.077 -174.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.431 HG21 HG13 ' A' ' 7' ' ' ILE . 86.4 t -137.9 145.49 28.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 164.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 89.7 m -122.74 139.35 54.07 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 171.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 39.7 p90 -157.8 169.56 24.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.804 -172.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -93.19 151.74 40.67 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.597 0.713 . . . . 0.0 110.877 176.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -62.37 138.08 69.15 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.698 2.265 . . . . 0.0 112.356 175.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.485 HG21 ' HB2' ' A' ' 59' ' ' ALA . 14.9 t -160.01 171.55 19.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.085 -170.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 33.8 p -134.84 176.08 8.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.198 164.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -37.87 153.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 167.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 50.6 p-10 -75.19 15.18 0.45 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.976 -163.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -90.44 -27.02 19.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.916 173.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -114.2 -104.82 2.6 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.421 172.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.6 mt -76.68 155.04 33.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 0.0 110.884 -168.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 92.7 p -110.24 157.38 19.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.485 ' HB2' HG21 ' A' ' 51' ' ' THR . . . -119.68 144.93 46.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.049 -179.319 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 54.6 p90 -154.88 164.11 39.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.941 -176.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.5 49.82 17.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.036 175.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 89.2 t -86.12 137.84 20.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 173.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -129.61 122.58 29.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -173.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 78.7 t -111.35 137.32 44.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 174.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.466 HG21 ' HB3' ' A' ' 45' ' ' ALA . 74.9 t . . . . . 0 C--N 1.33 -0.264 0 CA-C-O 121.686 0.755 . . . . 0.0 111.178 -169.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.854 0.359 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -173.15 -165.78 30.59 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.45 178.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 88.5 m -130.56 134.43 47.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.814 0.34 . . . . 0.0 111.075 175.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.6 mt -77.55 128.39 38.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.069 178.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.6 p -92.03 -26.48 18.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 -171.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 89.4 m -133.42 131.07 39.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.211 -177.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 18.1 t90 -88.82 114.11 25.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.889 177.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.435 ' HB3' ' O ' ' A' ' 16' ' ' PHE . 14.6 p90 -89.03 79.39 7.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.831 -179.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -75.55 -62.67 1.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.921 -176.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -95.83 -27.36 15.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -174.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -93.2 -31.95 14.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -163.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.57 19.82 78.93 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.454 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.435 ' O ' ' HB3' ' A' ' 11' ' ' PHE . 18.8 m-30 -109.66 109.27 19.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.908 0.385 . . . . 0.0 110.893 175.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -115.32 143.97 18.28 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.541 -171.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -128.37 138.2 52.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.908 0.385 . . . . 0.0 110.833 176.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.0 tt -129.98 139.44 51.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.187 -176.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.7 tptt -99.08 121.12 40.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.974 175.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -81.06 151.38 28.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.848 -170.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -60.28 -14.64 19.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.91 165.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -87.27 -13.26 44.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 173.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.81 2.29 59.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.497 171.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -92.34 147.11 23.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 110.897 176.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -94.66 128.56 41.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.788 173.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.7 mtt85 -119.05 142.34 47.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.805 -177.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -114.09 132.35 56.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -177.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -148.92 176.66 10.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.991 -172.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 67.7 m80 -124.9 158.47 33.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -172.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.4 ' O ' HG22 ' A' ' 34' ' ' VAL . 12.5 p -56.91 -25.18 21.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.125 176.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 45.9 pt -80.79 -14.26 12.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 -178.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -99.47 -5.43 29.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -171.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 31' ' ' VAL . 35.7 m -103.14 146.71 10.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.147 -172.464 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.77 -48.02 34.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.186 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -90.42 138.79 26.78 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-O 121.615 0.721 . . . . 0.0 110.864 173.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -75.97 165.38 29.98 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.609 2.206 . . . . 0.0 112.34 -167.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 53.0 p-10 -61.4 -14.58 29.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.899 175.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.0 mt -84.9 -27.98 26.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.94 -179.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 77.6 mt -110.06 86.76 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 177.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -127.21 150.5 49.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 175.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -157.94 142.51 16.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.872 177.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -84.5 -15.57 45.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.839 -160.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -84.24 2.19 41.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.197 -168.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -171.35 125.95 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.08 -176.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 89.4 t -140.69 135.9 34.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 164.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.6 t -138.67 147.85 43.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.147 172.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 53.9 p90 -150.52 167.49 27.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -168.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -101.71 127.82 30.38 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.605 0.717 . . . . 0.0 110.846 167.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -73.32 138.63 27.78 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.601 2.201 . . . . 0.0 112.306 -174.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.438 HG21 ' CD2' ' A' ' 60' ' ' TYR . 54.2 p -144.45 172.99 12.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.179 178.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.2 t -145.25 138.17 26.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.157 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 64.4 m-80 -120.83 163.3 18.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 171.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -67.32 -22.14 65.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 175.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -94.91 -4.66 46.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 145.19 165.95 11.48 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.433 176.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 88.5 mt -75.57 139.82 42.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.831 0.348 . . . . 0.0 110.891 -177.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 75.5 m -129.21 162.43 27.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -178.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -128.53 122.1 30.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.158 178.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.438 ' CD2' HG21 ' A' ' 51' ' ' THR . 21.5 m-30 -113.67 164.17 14.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 -172.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.01 54.29 9.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.106 176.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 95.6 t -83.37 132.65 30.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.196 -176.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -133.84 135.98 44.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 -170.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 93.0 t -97.99 125.02 51.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 175.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 85.8 t . . . . . 0 C--N 1.328 -0.356 0 CA-C-O 121.594 0.712 . . . . 0.0 111.133 -171.027 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 31.6 m120 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.82 0.343 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -160.03 -176.43 32.1 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.485 179.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 96.2 m -119.69 136.51 54.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.722 0.296 . . . . 0.0 111.085 176.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.5 mm -80.73 124.72 38.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.097 -177.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 96.9 m -84.77 -40.82 16.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.109 -175.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 92.8 m -135.11 133.53 39.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.189 -174.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 21.7 t90 -84.18 125.37 32.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 176.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.626 ' HB3' ' O ' ' A' ' 16' ' ' PHE . 17.8 p90 -89.24 80.0 6.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -72.4 -64.02 1.03 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 -178.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -98.29 -29.45 13.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.801 -172.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -92.23 -26.86 17.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.975 -162.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.63 18.85 80.03 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.467 -178.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.626 ' O ' ' HB3' ' A' ' 11' ' ' PHE . 21.0 m-85 -115.86 127.83 55.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.946 0.403 . . . . 0.0 110.866 178.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -130.52 153.48 20.22 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.5 -175.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -127.76 143.37 51.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 0.0 110.831 175.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.6 tt -134.17 137.43 51.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.206 -178.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -102.36 122.59 44.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 173.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -81.55 154.73 26.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.824 -167.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -61.01 -15.31 30.48 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 170.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -85.03 -13.57 50.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.921 174.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.06 3.47 60.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.507 175.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -89.9 148.38 23.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.885 0.374 . . . . 0.0 110.857 177.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -96.61 128.97 44.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 175.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.435 ' HG2' ' HB3' ' A' ' 57' ' ' LEU . 44.3 mtt85 -119.97 142.63 48.59 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.829 -179.274 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -112.93 128.38 56.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.95 175.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -137.61 170.11 16.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.954 -174.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 52.7 m80 -119.99 157.69 28.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -174.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.0 p -51.25 -29.84 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.089 177.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 47.6 pt -75.15 -17.9 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 -178.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.1 mttp -95.21 4.63 53.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 39.0 t -108.33 128.28 63.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.09 -178.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.05 -40.46 78.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 -177.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.412 HD22 ' HB ' ' A' ' 64' ' ' VAL . 99.3 m-20 -83.82 147.75 52.53 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.536 0.684 . . . . 0.0 110.957 172.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -70.57 163.47 38.8 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.599 2.199 . . . . 0.0 112.389 -176.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 52.1 p-10 -60.5 -14.92 22.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 176.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.5 mt -83.86 -19.98 33.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 77.3 mt -113.93 92.76 2.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.1 177.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -140.5 134.71 31.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 173.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -162.76 152.22 15.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -172.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 57.4 p30 -83.45 6.63 19.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.851 -173.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.18 -14.35 59.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.134 -170.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.44 ' HB3' ' H ' ' A' ' 65' ' ' VAL . . . -176.44 138.06 0.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.072 176.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 63.7 t -138.86 133.27 41.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.119 170.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.7 t -148.18 149.38 31.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 167.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -154.31 168.8 25.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -177.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -94.73 139.56 22.27 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.667 0.746 . . . . 0.0 110.856 176.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -67.02 122.84 10.21 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.684 2.256 . . . . 0.0 112.306 -176.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 36.7 p -143.48 166.04 25.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.105 177.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 10.1 t -157.85 145.19 18.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.104 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -115.61 162.74 16.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 175.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -68.27 -22.03 64.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 175.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -94.2 -4.2 49.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 147.27 159.76 8.51 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.5 179.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.435 ' HB3' ' HG2' ' A' ' 27' ' ' ARG . 11.2 mp -75.27 139.33 42.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.816 0.341 . . . . 0.0 110.923 -176.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 53.0 m -130.94 164.04 26.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.808 -176.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -113.33 134.7 54.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.181 176.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -129.64 147.17 51.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.975 -172.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 57.62 52.91 7.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.105 -176.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 88.5 t -80.23 129.78 37.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 -177.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -133.86 130.95 38.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -172.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.412 ' HB ' HD22 ' A' ' 36' ' ' ASN . 93.8 t -98.26 123.35 50.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.162 166.095 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.44 ' H ' ' HB3' ' A' ' 45' ' ' ALA . 83.9 t . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 121.628 0.728 . . . . 0.0 111.179 -168.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.906 0.384 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -176.71 -172.56 41.47 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.562 -178.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.3 p -128.43 147.74 50.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.824 0.345 . . . . 0.0 111.121 -178.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.1 mt -81.92 123.61 38.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.071 172.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.6 m -82.04 -39.33 23.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.033 175.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.1 t -147.52 141.41 25.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.174 177.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 18.2 t90 -129.6 124.87 34.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.951 -175.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -117.71 84.52 2.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 177.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -62.29 -38.56 89.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -177.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -70.13 -26.44 63.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -177.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -97.03 -13.65 22.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.9 31.72 61.81 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.464 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -135.33 142.95 45.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.967 0.413 . . . . 0.0 110.896 -174.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.401 ' HA3' ' CE1' ' A' ' 29' ' ' PHE . . . -142.1 162.22 27.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.466 176.069 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.495 ' CE2' ' HB3' ' A' ' 26' ' ' ASN . 45.7 t80 -139.35 132.98 30.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.889 0.375 . . . . 0.0 110.86 -178.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 43.4 pt -129.74 149.09 33.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.159 -162.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -108.28 131.27 54.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 169.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -76.13 156.31 33.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.809 -173.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -56.99 -17.37 9.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.78 163.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 -90.82 -7.03 53.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.834 175.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.18 -0.57 72.26 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.447 176.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -84.15 136.8 33.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.849 0.357 . . . . 0.0 110.873 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.495 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 72.6 m-80 -99.02 130.42 45.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.6 ptp85 -148.35 163.27 37.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 54.6 p90 -106.43 156.56 18.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.91 -174.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.401 ' CE1' ' HA3' ' A' ' 17' ' ' GLY . 31.2 p90 -139.72 162.34 35.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 172.314 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -119.76 147.62 44.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -178.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.6 p -57.96 -24.57 23.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.152 -179.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 49.3 pt -72.17 -18.89 19.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -97.48 14.44 26.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 58.7 t -101.85 127.45 55.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.1 -42.17 80.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 -175.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 -128.84 82.31 68.97 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.76 0.79 . . . . 0.0 110.943 177.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.74 -15.67 37.28 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.633 2.222 . . . . 0.0 112.358 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -74.86 -35.92 62.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 169.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 92.8 mt -100.09 -0.93 38.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.95 -175.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 18.8 tt -50.61 136.08 9.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.141 175.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -128.39 160.77 31.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.989 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.417 ' C ' ' N ' ' A' ' 44' ' ' ALA . 99.2 mttt -64.85 -176.46 0.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.781 171.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 57.6 p-10 -50.93 -12.65 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -178.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.417 ' N ' ' C ' ' A' ' 42' ' ' LYS . . . -53.34 -25.68 16.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 174.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -166.86 116.58 0.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.042 164.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 65.7 t -140.8 135.72 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 173.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.2 m -135.16 144.34 46.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.097 158.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 55.5 p90 -148.29 168.2 23.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -169.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -112.98 134.11 21.86 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.683 0.754 . . . . 0.0 110.815 172.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -78.32 148.64 24.06 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.664 2.243 . . . . 0.0 112.367 -174.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.1 t -155.11 163.02 40.83 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 175.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 85.4 m -131.8 129.58 40.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.081 -173.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.507 ' O ' ' HB2' ' A' ' 54' ' ' ASN . 60.0 t-20 -142.91 101.26 3.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 178.291 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.507 ' HB2' ' O ' ' A' ' 53' ' ' ASN . 71.9 m-20 74.96 -154.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -171.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -82.65 9.52 9.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -114.83 130.66 9.33 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.488 177.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 98.0 mt -80.69 145.02 31.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.756 0.313 . . . . 0.0 110.939 176.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.0 t -135.85 166.41 23.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 178.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -130.73 146.45 52.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.09 177.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -144.45 174.59 10.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.879 -176.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.45 54.27 8.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.055 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 93.0 t -79.02 131.38 34.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 -173.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -138.19 137.31 37.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -172.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 94.8 t -106.14 132.59 52.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.101 177.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.2 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 121.628 0.728 . . . . 0.0 111.111 -178.159 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.841 0.353 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.602 ' HA3' ' HE1' ' A' ' 48' ' ' PHE . . . -161.71 -173.8 30.81 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.623 -176.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.8 p -132.5 142.76 49.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.752 0.311 . . . . 0.0 111.193 177.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.9 mt -92.1 120.56 41.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 167.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 73.2 p -96.69 -22.82 16.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.036 -173.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 96.9 m -139.46 129.93 25.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.144 174.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -130.59 109.87 10.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.952 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -111.86 85.77 2.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 177.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.03 -39.6 90.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 -176.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -65.92 -25.63 67.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -178.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -99.83 -16.2 18.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.908 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.06 23.95 74.92 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.454 -175.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.2 m-30 -108.32 142.4 38.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.973 0.416 . . . . 0.0 110.931 -175.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.697 ' HA3' ' CZ ' ' A' ' 29' ' ' PHE . . . -141.94 157.33 26.35 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.496 169.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -134.56 139.76 45.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.839 0.352 . . . . 0.0 110.905 176.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.8 mt -126.19 139.05 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.197 -172.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -103.74 128.6 51.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.786 174.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.442 ' HB3' ' H ' ' A' ' 23' ' ' ASN . 98.1 m-20 -83.27 157.64 22.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.82 -171.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -53.22 -18.91 2.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.814 160.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.442 ' H ' ' HB3' ' A' ' 21' ' ' ASP . 95.7 m-20 -89.86 -11.32 42.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 177.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.08 1.45 65.03 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.434 170.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -89.18 143.6 26.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.871 0.367 . . . . 0.0 110.897 178.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 -97.54 131.84 43.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 176.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -132.17 147.91 52.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -176.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.464 ' O ' ' HA ' ' A' ' 58' ' ' SER . 39.5 t80 -95.16 146.39 24.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -177.032 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.697 ' CZ ' ' HA3' ' A' ' 17' ' ' GLY . 34.2 p90 -140.02 158.72 43.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 170.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -109.8 145.35 36.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 171.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.9 m -59.29 -23.42 24.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.177 179.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.2 mt -69.42 -26.81 32.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.145 174.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -92.94 7.06 45.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -178.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.616 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 96.9 t -100.6 135.37 36.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 -179.178 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.65 -42.09 91.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 -175.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -125.49 74.4 68.94 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.69 0.757 . . . . 0.0 110.893 176.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.616 ' HD3' ' O ' ' A' ' 34' ' ' VAL . 49.7 Cg_endo -70.28 -18.1 34.79 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 122.631 2.22 . . . . 0.0 112.369 179.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -73.07 -36.24 66.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.914 170.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.6 mt -97.89 -2.13 41.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -173.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 16.0 tt -63.46 137.02 25.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.198 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -138.22 169.5 17.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 -174.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -64.72 179.68 0.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.816 179.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 57.6 p30 -61.23 -2.26 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -176.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.32 -23.88 26.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.17 168.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -167.89 119.09 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.073 162.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.9 t -139.76 128.41 27.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 174.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 95.7 m -135.93 142.1 44.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.092 170.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.602 ' HE1' ' HA3' ' A' ' 5' ' ' GLY . 52.8 p90 -154.87 164.3 39.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.815 -175.229 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -92.22 143.02 26.84 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.649 0.737 . . . . 0.0 110.826 -178.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -56.47 131.39 45.43 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.685 2.257 . . . . 0.0 112.275 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.3 t -156.61 153.66 28.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 -175.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.9 t -150.49 140.88 22.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.077 174.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -138.19 79.1 1.72 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 -174.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 70.97 -154.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 173.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -78.75 -20.14 50.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -176.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -99.51 106.27 3.17 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.52 173.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.8 mt -73.95 130.21 39.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.838 0.351 . . . . 0.0 110.87 -170.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.464 ' HA ' ' O ' ' A' ' 28' ' ' TYR . 89.8 p -129.96 162.38 28.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 178.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.549 ' HB3' ' HB3' ' A' ' 29' ' ' PHE . . . -128.5 147.26 50.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.121 -177.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -135.46 156.54 48.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -176.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.87 61.16 3.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.066 171.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 95.3 t -83.83 104.55 12.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.163 -178.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -101.85 139.63 37.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.96 -176.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 86.0 t -105.41 138.75 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.143 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.2 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-O 121.611 0.719 . . . . 0.0 111.176 -179.21 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 . . . . . 0 CA--C 1.527 0.058 0 CA-C-O 120.839 0.352 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.29 176.41 20.78 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.468 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 93.9 m -131.54 131.62 43.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.321 . . . . 0.0 111.174 175.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 97.1 mt -98.23 123.63 50.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 172.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.5 p -91.62 -29.71 16.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 -178.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.9 m -147.49 137.71 23.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.233 177.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 66.1 t90 -150.98 128.46 11.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.828 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -112.05 114.46 27.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 178.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.67 -48.99 78.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 178.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -74.58 -29.08 61.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -171.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -98.34 -25.12 14.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -169.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.13 33.61 49.19 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.485 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -111.07 133.26 53.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.888 0.375 . . . . 0.0 110.904 173.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -148.23 150.55 22.76 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.438 176.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -128.69 151.13 49.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.807 0.336 . . . . 0.0 110.877 -179.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 92.8 mt -129.59 136.08 60.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.221 177.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -97.99 121.01 39.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 172.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -82.29 165.92 19.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.846 -172.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.88 -20.06 61.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 171.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -86.08 -11.04 53.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 176.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.57 4.76 63.7 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.465 175.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -83.07 134.84 35.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.738 0.304 . . . . 0.0 110.864 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 -91.78 116.14 28.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 176.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.458 ' HG2' ' HB3' ' A' ' 57' ' ' LEU . 51.2 mtt85 -117.44 140.46 49.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 -175.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -95.11 134.92 37.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.96 177.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.51 ' HB3' ' HB3' ' A' ' 59' ' ' ALA . 34.6 p90 -129.54 164.83 22.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.843 -177.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.409 ' HB3' HG12 ' A' ' 32' ' ' ILE . 95.3 m-70 -109.25 143.42 38.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.796 173.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.2 m -62.51 -24.07 34.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.178 178.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.409 HG12 ' HB3' ' A' ' 30' ' ' HIS . 44.6 pt -75.63 -16.21 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.02 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -97.05 14.34 25.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.494 ' HA ' ' HB ' ' A' ' 62' ' ' VAL . 60.0 t -105.66 137.78 33.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 -179.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.18 -46.74 69.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.078 -177.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -138.11 82.45 24.6 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.64 0.733 . . . . 0.0 110.885 175.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.62 -14.44 44.79 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.669 2.246 . . . . 0.0 112.396 -178.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -71.24 -28.79 64.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 175.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 95.6 mt -97.4 -4.95 37.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 -172.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.4 mm -66.64 133.07 31.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 176.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.466 ' O ' ' HB2' ' A' ' 45' ' ' ALA . 99.3 mttt -124.24 156.34 37.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.881 177.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -49.18 -74.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -175.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -85.43 -28.42 25.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.886 -174.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -93.16 21.46 5.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 -170.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.466 ' HB2' ' O ' ' A' ' 41' ' ' LYS . . . -64.5 168.12 6.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.105 -172.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.3 m -106.98 -155.28 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 -171.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.0 t -107.58 168.68 9.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.089 -156.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -153.5 166.24 33.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -173.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -92.31 126.45 52.65 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.704 0.764 . . . . 0.0 110.881 172.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -72.85 151.26 50.88 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.683 2.255 . . . . 0.0 112.343 -174.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.9 t -164.95 173.95 11.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 178.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 86.9 m -141.82 138.14 31.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -128.12 159.8 33.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.876 176.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -74.39 -15.54 60.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.98 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -92.11 -14.36 29.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.836 177.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 147.78 169.78 15.28 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.499 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.458 ' HB3' ' HG2' ' A' ' 27' ' ' ARG . 96.1 mt -74.96 131.73 40.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.776 0.322 . . . . 0.0 110.961 -179.375 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.7 m -130.14 163.52 26.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -173.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.51 ' HB3' ' HB3' ' A' ' 29' ' ' PHE . . . -133.4 132.72 41.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.012 -178.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -134.38 166.21 23.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -177.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 56.29 56.81 5.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.121 177.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.494 ' HB ' ' HA ' ' A' ' 34' ' ' VAL . 93.9 t -77.42 122.71 32.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.22 179.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -119.35 125.3 48.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 -168.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 87.6 t -90.05 122.56 41.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 178.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 96.4 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.553 0.692 . . . . 0.0 111.161 177.721 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.806 0.336 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -137.24 178.03 19.32 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.435 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 90.8 m -134.91 131.59 37.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.842 0.354 . . . . 0.0 111.153 173.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 82.4 mt -98.6 125.0 52.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.172 170.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 80.6 p -90.56 -26.94 19.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.075 -175.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.1 t -150.07 140.71 22.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.155 176.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 40.4 t90 -149.99 124.84 9.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 177.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -114.99 107.48 15.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.923 178.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.09 -40.27 97.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 178.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -77.01 -35.24 57.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.795 -173.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -94.39 -25.61 16.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 -173.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.61 30.75 55.9 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.548 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -114.2 131.47 56.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.933 0.397 . . . . 0.0 110.909 172.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -152.26 154.64 25.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.471 176.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 19.2 m-30 -118.1 149.68 40.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.872 0.368 . . . . 0.0 110.891 177.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.7 mt -126.09 132.13 70.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.173 174.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -104.34 120.31 40.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 171.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -86.87 169.06 12.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -171.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.35 -22.26 66.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 171.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -84.47 -10.78 57.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.816 176.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.72 6.22 62.41 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.478 176.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -77.22 135.92 38.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.773 0.32 . . . . 0.0 110.78 -178.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -99.78 110.38 22.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 176.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 81.4 mtt85 -109.64 143.18 39.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.834 -176.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -99.67 131.78 45.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 169.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 1.02 ' HB3' ' HB3' ' A' ' 59' ' ' ALA . 37.1 p90 -131.49 159.18 38.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.841 -176.015 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 30.6 m80 -106.33 147.65 28.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 173.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.3 m -59.31 -23.27 24.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 177.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.9 pt -76.59 -18.28 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.157 177.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -94.54 8.02 43.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 60.3 t -104.91 140.16 23.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.095 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.24 -42.91 71.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -134.69 79.41 53.0 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.635 0.731 . . . . 0.0 110.909 175.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -65.89 -19.66 58.41 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.736 2.291 . . . . 0.0 112.316 -178.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -69.53 -28.11 65.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 176.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.8 mt -96.39 -5.71 39.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -174.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 24.1 mm -61.24 128.03 21.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.217 178.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.664 ' H ' ' HB2' ' A' ' 45' ' ' ALA . 74.7 mmtt -127.3 176.69 7.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.934 176.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -68.38 -82.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.88 173.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -84.21 -22.66 30.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.835 -175.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.98 -12.34 44.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.082 -165.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.664 ' HB2' ' H ' ' A' ' 41' ' ' LYS . . . -78.13 165.74 23.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.106 174.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.9 m -124.74 166.48 20.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 178.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.0 t -80.93 -168.14 1.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.166 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -157.31 178.53 10.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.856 -156.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -55.55 138.55 68.94 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.775 0.797 . . . . 0.0 110.85 -178.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -69.97 145.88 57.23 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.682 2.254 . . . . 0.0 112.376 -172.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.8 t -158.44 153.71 25.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.231 178.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.7 t -152.8 149.36 28.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.204 -178.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -135.29 152.84 51.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.92 177.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -75.62 -22.9 56.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 -177.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -85.98 -15.78 40.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 148.62 165.88 12.5 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.456 176.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.8 mt -71.89 127.96 34.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.352 . . . . 0.0 110.962 -177.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 94.7 p -147.69 162.53 38.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.839 175.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 1.02 ' HB3' ' HB3' ' A' ' 29' ' ' PHE . . . -120.2 134.57 55.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.065 -167.366 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -139.44 156.02 47.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 52.29 52.81 13.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.121 177.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.4 t -77.18 131.41 34.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.17 -175.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -117.75 125.93 51.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 -172.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 85.8 t -97.32 125.37 50.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 88.4 t . . . . . 0 C--N 1.33 -0.254 0 CA-C-O 121.572 0.701 . . . . 0.0 111.115 -179.628 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 . . . . . 0 CA--C 1.527 0.059 0 CA-C-O 120.79 0.328 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.45 172.16 35.37 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 177.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.458 HG23 ' HA ' ' A' ' 43' ' ' ASP . 96.0 m -129.88 136.41 49.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.787 0.327 . . . . 0.0 111.154 176.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 83.7 mt -89.42 124.98 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.175 -174.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 57.9 p -100.52 -21.42 15.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 177.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 84.8 m -139.3 132.15 29.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.166 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 17.3 t90 -142.49 118.55 10.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -114.8 88.87 2.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.891 177.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -62.18 -39.28 92.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -176.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -66.35 -24.88 66.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -178.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -99.26 -15.38 18.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.8 23.54 76.34 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.529 -175.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.9 m-30 -110.83 142.96 42.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.871 0.367 . . . . 0.0 110.901 -175.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.405 ' HA3' ' CZ ' ' A' ' 29' ' ' PHE . . . -143.13 156.5 26.51 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.495 172.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -129.38 144.75 51.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.826 0.346 . . . . 0.0 110.88 175.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 93.7 mt -129.48 135.43 61.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 -177.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -98.9 125.66 44.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 169.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -84.93 165.07 17.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.884 -169.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -55.22 -23.88 24.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 167.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -86.58 -12.98 47.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 176.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.79 4.37 63.59 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.485 174.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -80.9 139.12 36.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.774 0.321 . . . . 0.0 110.887 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -90.72 117.29 29.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 177.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 81.5 mtt85 -115.13 139.13 50.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -176.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -103.6 135.32 45.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.936 178.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.635 ' HB3' ' HB3' ' A' ' 59' ' ' ALA . 29.8 p90 -138.53 161.38 37.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.85 -176.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 71.2 m80 -106.29 145.59 31.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.795 174.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.5 m -63.32 -21.35 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.8 pt -74.01 -16.5 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.151 177.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -95.89 17.11 15.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 175.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.404 ' HA ' ' HB ' ' A' ' 62' ' ' VAL . 53.2 t -111.99 139.39 36.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.194 -179.027 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.47 -42.87 82.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.119 -177.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -137.56 84.46 22.88 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.582 0.706 . . . . 0.0 110.899 174.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -66.28 -15.28 47.64 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.725 2.283 . . . . 0.0 112.323 -175.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -69.58 -26.29 64.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 177.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 95.9 mt -98.24 0.15 45.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -171.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 89.6 mt -54.32 134.28 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 174.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.534 ' O ' ' HB2' ' A' ' 45' ' ' ALA . 99.2 mttt -134.78 156.47 48.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 175.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -60.04 -80.73 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.458 ' HA ' HG23 ' A' ' 6' ' ' THR . 99.5 m-20 -77.88 -25.06 48.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.989 -176.381 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.58 14.46 20.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.104 -169.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.534 ' HB2' ' O ' ' A' ' 41' ' ' LYS . . . -62.34 158.92 16.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 -169.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.491 HG21 ' HA ' ' A' ' 64' ' ' VAL . 19.0 m -100.11 -140.11 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.193 -176.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 58.9 p -115.56 158.33 22.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 -156.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 47.0 p90 -151.64 164.42 36.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.862 -172.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -102.88 128.66 27.33 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.661 0.743 . . . . 0.0 110.935 169.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -68.55 137.01 38.07 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.648 2.232 . . . . 0.0 112.37 -177.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 71.9 p -141.88 163.35 33.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.151 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 92.3 m -133.29 135.18 44.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.208 -173.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 -127.59 163.96 23.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.91 175.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -69.03 -14.5 63.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 174.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -93.98 -6.46 45.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 179.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 138.04 178.98 16.59 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.49 178.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.7 mt -76.41 139.28 40.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.808 0.337 . . . . 0.0 110.96 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 93.1 p -142.2 169.17 18.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -172.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.635 ' HB3' ' HB3' ' A' ' 29' ' ' PHE . . . -127.72 144.57 51.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.06 -177.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -142.07 155.45 45.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -175.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 59.45 61.07 2.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.117 177.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.404 ' HB ' ' HA ' ' A' ' 34' ' ' VAL . 96.2 t -82.38 127.84 39.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.18 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -126.58 129.48 48.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -168.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.491 ' HA ' HG21 ' A' ' 46' ' ' VAL . 84.5 t -89.09 122.28 40.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.194 178.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 84.0 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 121.6 0.714 . . . . 0.0 111.131 177.281 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 . . . . . 0 CA--C 1.526 0.049 0 CA-C-O 120.848 0.356 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.73 176.3 34.07 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.438 177.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.4 m -129.18 131.73 47.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.83 0.347 . . . . 0.0 111.124 -177.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 85.5 mt -99.12 125.0 52.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.185 170.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 79.4 p -90.85 -27.28 18.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 -175.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.3 t -150.34 141.29 22.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.12 176.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.518 ' HE1' HG12 ' A' ' 31' ' ' VAL . 38.9 t90 -149.88 124.97 10.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 177.42 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -114.85 106.63 14.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 177.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.45 -40.03 95.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -77.95 -34.86 50.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.832 -173.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -93.54 -27.32 16.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -173.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.2 29.62 53.06 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.52 -179.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -113.93 132.39 55.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.892 0.377 . . . . 0.0 110.9 172.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -156.87 157.96 28.42 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.448 176.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -119.61 149.94 41.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.887 0.375 . . . . 0.0 110.9 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.2 mt -126.31 132.16 70.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.187 174.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -104.96 120.62 41.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.921 172.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -88.49 169.02 12.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 -171.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.52 -22.43 66.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.83 172.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -84.44 -10.57 57.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 177.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.13 1.65 64.79 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.525 177.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -69.88 140.88 53.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.739 0.304 . . . . 0.0 110.892 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -106.78 110.05 22.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 176.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 84.0 mtt85 -109.25 143.03 39.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.816 -174.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -100.42 132.48 45.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.929 168.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.998 ' HB3' ' HB3' ' A' ' 59' ' ' ALA . 34.6 p90 -132.57 160.04 37.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.845 -175.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -107.36 148.34 29.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 172.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.518 HG12 ' HE1' ' A' ' 10' ' ' TRP . 28.5 m -59.9 -23.17 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.201 177.048 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.1 pt -77.0 -18.36 14.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.102 177.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -94.16 6.78 47.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 177.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 57.7 t -104.47 139.24 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.13 179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.23 -42.04 72.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -134.66 79.71 52.38 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.585 0.707 . . . . 0.0 110.882 175.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.38 -18.75 55.49 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.694 2.263 . . . . 0.0 112.352 -178.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -69.8 -27.9 65.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 175.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.2 mt -96.19 -5.95 39.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -174.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.9 mm -60.22 128.04 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.161 177.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.649 ' H ' ' HB2' ' A' ' 45' ' ' ALA . 74.5 mmtt -129.2 175.38 8.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.828 176.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -67.45 -82.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 174.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -86.79 -21.48 26.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.956 -176.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -86.49 -15.0 41.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.136 -166.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.649 ' HB2' ' H ' ' A' ' 41' ' ' LYS . . . -75.87 166.07 24.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 174.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.3 m -125.06 166.07 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.096 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.4 t -80.04 -168.56 1.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -156.91 178.24 10.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -157.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -54.97 137.37 65.95 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.658 0.742 . . . . 0.0 110.827 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -69.28 146.55 63.57 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.622 2.215 . . . . 0.0 112.374 -172.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.9 t -158.57 154.75 27.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 178.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.3 t -154.31 152.26 30.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.094 -178.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -138.61 151.86 47.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 178.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -74.92 -20.0 59.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.949 -176.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -87.15 -8.07 57.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.872 178.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 138.18 166.41 10.67 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.54 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.4 mt -72.37 129.76 39.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.836 0.351 . . . . 0.0 110.921 -176.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 91.8 p -151.27 162.04 41.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 178.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.998 ' HB3' ' HB3' ' A' ' 29' ' ' PHE . . . -119.98 134.94 55.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.145 -166.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -139.93 155.58 47.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.903 179.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 52.27 53.21 12.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.119 177.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 99.0 t -78.64 131.67 33.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 -175.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -117.41 125.78 51.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -174.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 73.0 t -98.5 125.44 51.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.17 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 99.7 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 121.626 0.727 . . . . 0.0 111.177 -177.851 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.811 0.338 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.406 ' H ' ' HA ' ' A' ' 46' ' ' VAL . . . -145.21 175.27 24.88 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.475 177.494 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 97.1 m -132.08 137.07 47.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.861 0.363 . . . . 0.0 111.166 177.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.462 HG12 HG12 ' A' ' 19' ' ' ILE . 91.8 mt -89.95 124.73 42.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 170.119 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.7 p -90.79 -37.13 13.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 -173.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.3 p -140.86 148.09 39.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.146 174.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 38.2 t90 -150.11 124.85 9.78 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -119.78 107.64 13.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.832 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -63.86 -47.01 82.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.921 -178.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -73.66 -32.14 63.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 -171.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -97.5 -22.72 16.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 -174.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.38 36.18 45.39 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 176.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -113.84 130.18 56.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.964 0.412 . . . . 0.0 110.861 173.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -140.13 149.19 20.69 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 173.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -133.12 139.76 47.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.826 0.346 . . . . 0.0 110.823 -178.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.462 HG12 HG12 ' A' ' 7' ' ' ILE . 85.0 mt -125.72 137.7 56.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.213 -174.249 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -100.11 122.12 42.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 171.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -88.34 165.7 14.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 -171.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -58.3 -22.03 51.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 171.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -82.25 -13.17 57.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 176.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.22 4.8 62.59 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.518 174.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -86.09 140.51 30.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.804 0.335 . . . . 0.0 110.862 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 -96.94 111.47 23.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 175.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 66.1 mtt85 -120.31 146.15 46.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 -171.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -99.49 139.49 35.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 -175.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.828 ' HB3' ' HB3' ' A' ' 59' ' ' ALA . 26.1 p90 -133.68 159.11 41.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.349 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.44 ' HB3' HG12 ' A' ' 32' ' ' ILE . 93.2 m-70 -103.77 144.78 31.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.787 173.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.9 m -58.45 -23.76 23.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.168 176.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.44 HG12 ' HB3' ' A' ' 30' ' ' HIS . 42.4 pt -79.42 -17.14 13.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 177.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -94.73 12.52 27.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 178.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 61.4 t -100.12 134.44 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 175.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.02 -44.03 64.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.048 -178.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -130.88 81.17 67.93 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.634 0.73 . . . . 0.0 110.892 176.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -67.06 -17.92 51.29 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.727 2.285 . . . . 0.0 112.336 -178.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -70.86 -30.57 66.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 176.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 91.7 mt -92.44 -8.54 44.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -175.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.4 mm -58.42 127.67 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.144 177.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.572 ' HB2' ' HB3' ' A' ' 44' ' ' ALA . 99.2 mttt -138.24 155.53 48.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 171.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -42.57 -73.49 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.952 -175.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -95.09 -23.61 17.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.957 -174.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.572 ' HB3' ' HB2' ' A' ' 41' ' ' LYS . . . -83.91 -21.97 31.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.069 -162.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.56 ' HB2' ' H ' ' A' ' 41' ' ' LYS . . . -71.58 169.51 15.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.09 170.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.406 ' HA ' ' H ' ' A' ' 5' ' ' GLY . 32.6 m -126.48 168.82 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 -175.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.4 t -73.14 -166.6 0.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.115 -174.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -148.14 175.8 10.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -144.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -74.55 118.28 68.75 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.731 0.777 . . . . 0.0 110.907 176.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -55.81 137.13 77.65 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.726 2.284 . . . . 0.0 112.358 -177.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.444 HG21 ' HB3' ' A' ' 60' ' ' TYR . 45.6 p -140.83 157.99 44.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 172.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.0 t -146.04 139.72 26.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.129 176.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -126.37 168.12 14.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 178.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -73.34 -18.18 61.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.949 173.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -91.64 -12.31 34.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.831 178.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 143.71 -179.36 21.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.531 176.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.3 mt -79.04 139.92 38.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.781 0.324 . . . . 0.0 110.966 178.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 88.0 p -137.72 172.67 12.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.856 -177.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.828 ' HB3' ' HB3' ' A' ' 29' ' ' PHE . . . -122.75 140.62 52.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.042 178.276 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.444 ' HB3' HG21 ' A' ' 51' ' ' THR . 86.2 t80 -151.23 153.39 34.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.946 -175.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.44 54.88 7.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 -179.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 86.3 t -74.44 123.72 30.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 -177.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -123.14 129.95 52.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -173.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 71.9 t -98.96 125.61 52.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 78.4 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 121.58 0.705 . . . . 0.0 111.124 -179.362 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 . . . . . 0 N--CA 1.457 -0.118 0 CA-C-O 120.884 0.373 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -124.36 175.1 17.04 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.497 176.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 95.1 m -128.4 130.81 48.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.791 0.329 . . . . 0.0 111.228 176.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 95.7 mt -92.2 124.62 44.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.12 175.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.6 p -91.25 -28.73 17.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.158 -176.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.7 t -150.69 143.6 24.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.19 176.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 63.8 t90 -146.91 123.98 11.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -114.37 110.27 19.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -63.88 -46.14 86.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 177.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -75.32 -31.55 60.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -172.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -96.91 -25.39 15.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.825 -171.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.87 31.04 58.59 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.494 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -113.23 135.25 54.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.896 0.379 . . . . 0.0 110.932 173.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -149.24 151.38 23.52 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.472 175.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 16.6 m-30 -115.87 149.24 38.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.824 0.345 . . . . 0.0 110.916 176.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.6 mt -129.34 129.84 67.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.225 171.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -96.82 120.83 37.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.946 172.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -80.98 167.06 20.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.812 -173.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.11 -15.55 62.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 172.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -85.7 -11.4 53.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 174.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.96 6.11 59.35 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.48 173.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -86.58 133.2 33.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.771 0.32 . . . . 0.0 110.929 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 -95.47 111.98 23.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 176.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 70.4 mtt85 -119.19 148.22 43.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.892 -172.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -94.28 136.15 34.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.971 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.954 ' HB3' ' HB3' ' A' ' 59' ' ' ALA . 17.8 p90 -132.96 160.67 36.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -178.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 76.3 m80 -105.39 143.76 33.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.792 174.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.2 m -59.73 -23.65 26.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.204 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 45.2 pt -76.66 -15.65 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.109 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -96.97 18.23 15.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -177.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 57.3 t -108.5 136.39 44.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.173 176.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.64 -48.02 50.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.065 -177.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -135.05 79.89 49.5 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.559 0.695 . . . . 0.0 110.898 176.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -67.71 -16.97 47.49 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.658 2.238 . . . . 0.0 112.343 -178.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -68.51 -29.02 67.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 175.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.3 mt -93.86 -10.14 34.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 -178.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 40.2 mm -73.96 131.61 34.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 178.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.587 ' HB2' ' HB3' ' A' ' 44' ' ' ALA . 99.4 mttt -128.44 164.79 21.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.824 173.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -49.88 -69.97 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.985 -175.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -82.26 -28.78 31.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -176.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.587 ' HB3' ' HB2' ' A' ' 41' ' ' LYS . . . -92.12 13.32 19.28 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.079 -170.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.01 162.88 8.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.112 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.472 HG21 ' HA ' ' A' ' 64' ' ' VAL . 35.0 m -116.54 172.31 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 -176.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.0 t -83.19 -177.08 6.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 -177.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.423 ' HB3' HG22 ' A' ' 62' ' ' VAL . 45.4 p90 -152.55 166.78 30.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 -164.014 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -67.49 128.54 93.62 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.729 0.776 . . . . 0.0 110.844 176.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -66.65 141.58 60.86 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.659 2.239 . . . . 0.0 112.363 -173.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.0 t -159.67 157.57 29.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.8 t -149.02 140.3 23.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 -179.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -120.63 160.63 22.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.907 177.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -72.63 -19.59 61.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 175.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -89.2 -12.04 42.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 178.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 148.69 170.65 16.7 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.453 176.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.7 mt -78.79 141.83 37.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.84 0.352 . . . . 0.0 110.978 178.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 88.5 p -142.42 170.62 15.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.899 -174.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.954 ' HB3' ' HB3' ' A' ' 29' ' ' PHE . . . -119.47 139.85 51.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.072 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -147.95 143.58 27.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -173.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.16 63.44 2.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 178.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.423 HG22 ' HB3' ' A' ' 48' ' ' PHE . 89.0 t -71.73 119.69 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.121 174.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -113.8 118.93 35.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -166.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.472 ' HA ' HG21 ' A' ' 46' ' ' VAL . 85.0 t -92.84 125.16 45.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.117 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-O 121.563 0.697 . . . . 0.0 111.095 -179.362 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.873 0.368 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.42 176.88 34.48 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 178.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 93.2 m -130.36 131.62 45.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.784 0.325 . . . . 0.0 111.188 -179.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 88.6 mt -98.8 124.14 51.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.15 168.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.1 p -98.72 -24.75 14.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 -175.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 93.8 m -142.21 130.06 21.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.163 177.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 36.9 t90 -146.39 122.17 10.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 174.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -111.58 104.86 13.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 178.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -62.88 -40.59 98.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -178.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -76.04 -32.97 59.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 -174.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -98.06 -24.03 15.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -171.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.7 29.33 59.62 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.483 -177.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -109.98 120.57 42.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.893 0.378 . . . . 0.0 110.899 173.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -142.8 154.04 25.03 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.446 178.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -131.44 147.37 52.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.842 0.353 . . . . 0.0 110.848 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 91.3 mt -125.99 134.34 66.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.142 -179.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -103.02 121.78 43.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.939 172.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -89.16 168.77 12.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 -171.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.45 -22.4 66.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.82 172.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -83.63 -10.91 57.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.823 177.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.25 0.28 67.93 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.458 177.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -72.91 142.65 47.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.75 0.309 . . . . 0.0 110.874 178.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 72.5 m-80 -107.5 118.83 37.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.869 175.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.4 mtt85 -114.4 140.62 48.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.812 -175.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -99.49 133.08 44.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 171.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 1.109 ' HB3' ' HB3' ' A' ' 59' ' ' ALA . 38.0 p90 -134.75 161.7 34.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -175.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -108.14 150.14 27.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 172.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.7 m -59.12 -23.35 24.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.091 178.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.7 pt -76.88 -18.37 14.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.173 177.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -93.69 8.02 42.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 177.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 53.5 t -104.06 137.07 34.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.18 179.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.47 -41.07 73.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.043 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -134.6 80.66 50.06 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.628 0.728 . . . . 0.0 110.898 175.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.46 -18.31 54.54 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.666 2.244 . . . . 0.0 112.398 -178.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -69.81 -28.02 65.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.961 175.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 93.6 mt -94.99 -5.42 44.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.976 -174.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 22.5 mm -59.96 125.34 15.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.179 177.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.654 ' H ' ' HB2' ' A' ' 45' ' ' ALA . 74.5 mmtt -130.2 174.11 10.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 176.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -69.51 -83.71 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 175.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -85.2 -21.51 29.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.94 -176.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -85.67 -17.98 34.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.021 -166.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.654 ' HB2' ' H ' ' A' ' 41' ' ' LYS . . . -76.67 165.79 24.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 175.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.4 m -125.05 170.25 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.133 178.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.8 t -80.02 -168.86 1.78 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.161 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -156.87 178.48 10.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -156.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -53.96 134.54 57.82 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.698 0.761 . . . . 0.0 110.946 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -69.92 148.73 64.7 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.619 2.213 . . . . 0.0 112.349 -172.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.8 t -159.26 155.08 26.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.099 179.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.2 t -152.93 151.94 30.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.093 -178.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -144.64 149.33 35.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -75.19 -20.35 59.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 -175.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -86.81 -10.21 54.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 140.85 165.44 10.31 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.434 177.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.5 mt -72.65 129.85 39.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.846 0.355 . . . . 0.0 110.923 -176.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 92.4 p -148.59 160.25 43.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.882 177.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 1.109 ' HB3' ' HB3' ' A' ' 29' ' ' PHE . . . -119.32 136.59 54.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.064 -167.08 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -139.82 155.23 47.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 51.73 53.06 13.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.09 177.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 94.9 t -76.62 125.32 36.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.164 -175.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -117.24 127.67 54.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 -173.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 66.3 t -100.88 127.37 54.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 179.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 89.5 t . . . . . 0 C--N 1.33 -0.259 0 CA-C-O 121.545 0.688 . . . . 0.0 111.135 -177.609 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 . . . . . 0 N--CA 1.458 -0.053 0 CA-C-O 120.829 0.347 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -122.41 173.07 15.88 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.45 175.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.0 m -126.77 129.95 49.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.821 0.343 . . . . 0.0 111.186 174.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 90.2 mt -93.74 124.67 46.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.138 177.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.0 p -90.97 -26.94 19.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.165 -178.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.4 t -150.48 142.32 23.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.201 176.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 32.9 t90 -148.29 124.69 10.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.831 -178.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -120.01 107.57 13.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.834 178.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.75 -42.01 95.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 176.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -75.28 -31.73 60.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 -173.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -98.44 -24.25 15.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.967 -173.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.14 30.59 58.73 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.509 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -113.07 132.8 55.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.961 0.41 . . . . 0.0 110.945 172.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -149.75 151.98 23.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.423 175.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 16.0 m-30 -116.95 149.39 40.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.869 0.366 . . . . 0.0 110.838 176.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.9 mt -129.67 131.44 66.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.204 172.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -99.98 121.65 41.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 172.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -85.65 167.45 15.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -172.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -64.76 -19.65 65.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 172.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -82.78 -12.87 57.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.867 174.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.16 6.6 57.72 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.453 171.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -85.89 132.79 34.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.743 0.306 . . . . 0.0 110.904 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -95.1 110.93 22.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 174.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 69.9 mtt85 -116.53 146.12 42.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.879 -171.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -96.07 136.01 37.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 1.014 ' HB3' ' HB3' ' A' ' 59' ' ' ALA . 22.7 p90 -135.67 161.43 35.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.882 -178.403 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -105.08 144.78 31.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.802 174.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.2 m -59.85 -24.18 28.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.218 177.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 45.0 pt -76.61 -15.32 14.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 178.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -96.55 17.16 16.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 57.3 t -108.91 138.58 35.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 177.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.89 -47.57 58.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 -178.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -134.49 81.03 49.75 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.613 0.72 . . . . 0.0 110.959 175.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -67.01 -17.48 51.28 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.703 2.268 . . . . 0.0 112.359 -178.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -68.9 -28.24 66.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 176.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.7 mt -95.15 -9.91 32.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.913 -176.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 37.0 mm -71.12 128.23 34.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 178.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.532 ' HB2' ' HB3' ' A' ' 44' ' ' ALA . 74.5 mmtt -121.8 168.76 11.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 173.336 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -54.01 -69.86 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -82.87 -30.98 28.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -174.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.532 ' HB3' ' HB2' ' A' ' 41' ' ' LYS . . . -91.96 17.33 9.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 -171.193 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' A' ' 41' ' ' LYS . . . -64.77 163.32 14.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.068 -178.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.428 HG21 ' HA ' ' A' ' 64' ' ' VAL . 34.5 m -116.39 169.46 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 -173.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.8 t -85.82 -176.47 6.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.09 -175.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.4 ' HB3' HG22 ' A' ' 62' ' ' VAL . 37.0 p90 -154.92 168.65 26.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -164.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -72.0 135.84 82.58 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.635 0.731 . . . . 0.0 110.931 176.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -67.22 139.13 49.23 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 -174.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.4 t -159.67 155.34 25.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.167 178.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.8 t -147.98 142.34 26.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.148 -176.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 -120.6 163.72 17.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.843 176.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -75.06 -18.67 60.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.948 174.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -90.2 -10.74 43.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 178.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 148.37 171.37 17.19 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.438 178.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.2 mt -77.89 141.19 39.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 0.0 110.994 178.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 88.2 p -140.33 169.6 17.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -174.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 1.014 ' HB3' ' HB3' ' A' ' 29' ' ' PHE . . . -121.8 139.81 53.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.074 -179.334 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -149.26 146.72 27.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 -174.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 56.12 60.39 3.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.142 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.4 HG22 ' HB3' ' A' ' 48' ' ' PHE . 84.3 t -73.84 120.36 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.179 176.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -114.21 121.02 42.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -167.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.428 ' HA ' HG21 ' A' ' 46' ' ' VAL . 88.3 t -92.83 123.3 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.158 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 88.1 t . . . . . 0 C--N 1.33 -0.241 0 CA-C-O 121.574 0.702 . . . . 0.0 111.181 178.951 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 25.4 p30 . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.82 0.343 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.83 174.71 30.07 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.459 178.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 96.4 m -130.96 130.68 43.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.803 0.335 . . . . 0.0 111.168 -178.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 97.1 mt -93.23 128.77 44.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.181 172.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.0 p -89.32 -47.8 7.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.146 -176.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 71.3 p -136.13 147.34 47.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.158 172.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 66.3 t90 -151.31 123.52 8.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -118.42 106.91 13.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.84 -177.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -62.73 -50.33 71.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.953 -175.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -70.33 -28.33 65.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.822 -172.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -97.28 -17.94 19.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -175.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.11 42.22 29.77 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.514 174.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -120.61 143.62 48.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.896 0.379 . . . . 0.0 110.96 175.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -149.63 147.48 17.83 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.426 167.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -132.49 142.11 49.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.843 0.354 . . . . 0.0 110.892 -177.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 95.5 mt -124.19 136.68 59.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.258 -175.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -102.17 120.77 41.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 176.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -85.36 168.25 14.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 -173.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.61 -20.16 63.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 172.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -83.85 -12.89 54.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.801 175.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.12 4.82 62.74 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 173.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -81.2 136.92 35.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.776 0.322 . . . . 0.0 110.896 179.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -97.67 111.42 23.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 176.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 71.7 mtt85 -115.73 145.17 43.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.817 -172.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -94.26 138.89 31.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 178.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.577 ' HB3' ' HB3' ' A' ' 59' ' ' ALA . 41.5 p90 -132.27 160.74 35.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.891 -178.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.471 ' HB3' HG12 ' A' ' 32' ' ' ILE . 80.0 m80 -106.69 142.13 36.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 172.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.6 m -64.4 -22.0 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.093 178.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.471 HG12 ' HB3' ' A' ' 30' ' ' HIS . 46.0 pt -75.78 -17.22 15.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 177.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -93.82 17.8 11.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.998 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.503 ' HA ' ' HB ' ' A' ' 62' ' ' VAL . 71.6 t -111.46 136.82 46.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.159 -178.142 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.9 -45.32 74.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.072 -177.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -138.65 82.43 21.7 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.637 0.732 . . . . 0.0 110.931 175.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.58 -14.46 44.94 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.743 2.295 . . . . 0.0 112.337 -177.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -70.54 -28.88 65.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.918 177.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.6 mt -95.66 -6.42 40.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.961 -173.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 38.2 mm -62.66 135.37 27.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 177.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.55 ' O ' ' HB2' ' A' ' 45' ' ' ALA . 99.4 mttt -128.0 155.04 44.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 175.225 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -51.9 -72.75 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -174.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -84.98 -29.32 25.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.86 -176.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.58 22.86 4.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.115 -172.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.55 ' HB2' ' O ' ' A' ' 41' ' ' LYS . . . -65.37 170.17 5.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.079 -171.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.411 HG21 ' HA ' ' A' ' 64' ' ' VAL . 35.9 m -106.43 -155.06 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 -173.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.0 t -113.72 163.22 15.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.166 -156.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -152.66 165.75 34.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.861 -168.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -98.52 127.51 35.75 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.692 0.758 . . . . 0.0 110.892 169.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -69.1 133.88 27.93 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.637 2.225 . . . . 0.0 112.36 -177.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 81.8 p -140.2 160.92 38.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.187 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.9 m -132.67 135.34 45.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.109 -174.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -127.28 169.57 13.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.877 176.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -69.47 -14.81 63.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 174.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -94.68 -7.33 41.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 135.56 -174.91 21.06 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.469 178.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.9 mt -79.59 141.38 36.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.81 0.338 . . . . 0.0 110.976 -179.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 87.9 p -144.42 170.16 16.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -172.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.577 ' HB3' ' HB3' ' A' ' 29' ' ' PHE . . . -124.17 143.18 50.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.022 -176.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -141.87 153.98 44.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -176.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 57.51 59.35 3.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.204 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.503 ' HB ' ' HA ' ' A' ' 34' ' ' VAL . 91.0 t -78.81 124.7 37.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.127 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -120.2 128.23 53.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.874 -171.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.411 ' HA ' HG21 ' A' ' 46' ' ' VAL . 91.9 t -89.04 122.38 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.208 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 97.3 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 121.655 0.74 . . . . 0.0 111.132 176.405 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 . . . . . 0 N--CA 1.46 0.072 0 CA-C-O 120.937 0.399 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -160.05 -167.91 21.28 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.495 -176.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.7 t -147.0 136.99 23.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.773 0.32 . . . . 0.0 111.153 176.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 89.5 mt -82.91 126.15 40.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.104 174.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.7 p -92.2 -29.93 16.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.194 -169.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.3 t -159.59 147.75 17.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 178.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 43.9 p90 -139.85 125.32 19.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.957 176.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -109.24 101.72 10.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.837 -176.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -63.64 -35.63 81.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -177.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -68.08 -31.17 70.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.814 -176.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -100.34 -18.83 16.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -177.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.05 14.6 78.78 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.445 -177.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -112.62 155.43 24.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.941 0.4 . . . . 0.0 110.863 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -150.27 168.66 30.24 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.47 171.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.428 ' CE2' ' HB3' ' A' ' 28' ' ' TYR . 94.5 m-85 -129.59 139.96 51.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.847 0.355 . . . . 0.0 110.844 -178.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.8 tt -134.39 139.54 47.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.06 -172.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -94.02 124.88 38.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 178.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -79.78 160.11 26.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 -175.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 50.8 tt0 -55.71 -23.18 27.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 167.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -85.29 -9.43 57.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 178.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.86 3.68 65.82 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.56 175.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -83.92 149.91 26.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.912 0.387 . . . . 0.0 110.874 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 -100.27 115.39 29.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 175.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 67.5 mtt85 -120.32 144.9 47.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -177.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.428 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 32.1 p90 -106.84 152.18 24.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 -177.155 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -146.83 158.53 43.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.931 -179.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 66.6 t-80 -110.97 147.34 34.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 171.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.8 t -51.12 -40.3 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.103 -179.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 85.8 mt -68.72 -28.24 39.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.059 178.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -84.89 1.65 46.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.99 -176.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.642 HG13 ' HB ' ' A' ' 62' ' ' VAL . 95.5 t -107.82 135.44 46.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.144 -179.305 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.1 -42.24 76.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.052 -177.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.444 ' HA ' HD22 ' A' ' 36' ' ' ASN . 9.5 m120 -78.27 154.29 79.53 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.603 0.716 . . . . 0.0 110.842 175.073 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.416 ' C ' ' H ' ' A' ' 39' ' ' LEU . 43.8 Cg_endo -70.69 169.01 21.13 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.743 2.295 . . . . 0.0 112.358 -175.216 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 49.1 p30 -70.57 9.66 0.61 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 -177.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.416 ' H ' ' C ' ' A' ' 37' ' ' PRO . 95.5 mt -82.41 -2.64 53.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 174.501 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.517 HD11 HG11 ' A' ' 34' ' ' VAL . 33.4 pt -91.85 14.42 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 -179.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.886 ' HD2' ' O ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -80.03 98.43 7.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -178.2 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -171.26 165.3 7.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.954 -173.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -74.77 -30.98 61.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.828 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.91 -6.12 55.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 -173.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.38 154.93 36.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.084 177.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.0 m -119.57 172.52 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.221 -173.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.2 t -100.24 -163.34 1.02 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.091 -172.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -165.87 172.54 11.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 -156.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -55.25 129.96 68.49 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.644 0.735 . . . . 0.0 110.886 178.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -76.34 153.67 35.76 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.64 2.226 . . . . 0.0 112.359 -172.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 59.0 p -136.42 156.92 47.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 174.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 85.4 m -133.36 130.99 39.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.196 -175.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 26.5 p30 -133.88 -178.53 5.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 173.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -73.51 -16.85 61.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -174.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -92.8 -7.23 47.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -177.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 135.02 -173.01 21.79 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.455 178.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.0 mt -79.71 138.86 37.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.863 0.363 . . . . 0.0 110.809 178.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 98.8 p -144.58 172.25 13.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.847 -169.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -132.28 135.41 46.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.151 177.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -125.79 154.77 42.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.012 177.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.02 45.53 27.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.072 174.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.642 ' HB ' HG13 ' A' ' 34' ' ' VAL . 97.0 t -73.25 124.95 31.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.119 -170.231 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -115.69 131.8 56.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -176.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 93.7 t -108.57 133.29 54.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.127 -177.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.8 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 121.627 0.727 . . . . 0.0 111.158 -171.884 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.897 0.38 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -161.51 -166.63 20.62 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.426 176.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.2 t -146.93 139.71 25.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.801 0.334 . . . . 0.0 111.105 174.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 95.1 mt -83.85 125.01 40.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.069 176.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 80.7 p -93.88 -29.84 15.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 -170.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.1 t -157.63 154.87 29.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 176.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 32.8 t-105 -139.87 125.12 18.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -176.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -112.12 85.66 2.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.8 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -62.1 -36.55 82.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -177.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -65.69 -26.16 67.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -102.58 -13.48 17.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.93 23.1 77.14 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.476 -178.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -116.0 154.37 29.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.892 0.377 . . . . 0.0 110.864 -177.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -143.76 157.36 27.02 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.461 166.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.494 ' CE2' ' HB3' ' A' ' 28' ' ' TYR . 73.1 m-85 -123.61 136.94 54.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.871 0.367 . . . . 0.0 110.87 -178.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.9 tt -133.46 138.17 51.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 -171.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -96.47 124.9 40.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -178.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -85.09 152.29 23.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.976 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -69.6 -7.29 37.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.838 171.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -83.18 -10.94 58.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 171.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.16 1.03 59.61 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.456 172.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -97.66 141.57 30.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.891 0.377 . . . . 0.0 110.833 178.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -97.3 126.91 42.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.949 175.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 75.9 mtt85 -124.39 144.49 50.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -175.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.494 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 43.5 p90 -110.52 152.03 26.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 -178.635 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -148.35 156.56 42.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.9 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 66.0 t-80 -108.03 147.18 31.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 176.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 66.9 t -53.15 -38.29 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.161 -179.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 90.0 mt -73.21 -28.99 26.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.101 178.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -88.72 5.43 43.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 -171.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.9 m -124.27 156.78 31.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.55 -42.54 52.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.078 -174.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.462 ' HB3' HG21 ' A' ' 40' ' ' ILE . 1.0 OUTLIER -85.92 150.26 52.5 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.582 0.706 . . . . 0.0 110.865 -179.55 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.403 ' C ' ' H ' ' A' ' 39' ' ' LEU . 55.4 Cg_endo -76.0 177.85 8.21 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.752 2.302 . . . . 0.0 112.327 -170.512 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 53.3 p30 -70.05 7.96 0.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.956 -177.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.403 ' H ' ' C ' ' A' ' 37' ' ' PRO . 96.2 mt -80.05 -3.98 50.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.947 173.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.462 HG21 ' HB3' ' A' ' 36' ' ' ASN . 36.8 pt -89.55 12.59 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 -179.18 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.804 ' HD2' ' O ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -80.02 98.68 7.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -170.5 165.02 8.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 -177.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -73.06 -33.05 65.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -178.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -84.68 -0.15 52.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 -173.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.15 157.64 21.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.222 178.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.5 m -115.98 166.69 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.116 -171.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.0 t -101.54 -164.08 1.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 -175.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -163.72 171.56 15.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.952 -159.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -53.67 128.95 54.21 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.637 0.732 . . . . 0.0 110.893 177.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -77.3 154.7 32.31 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.654 2.236 . . . . 0.0 112.392 -171.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 64.7 p -136.47 159.69 41.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.122 175.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.0 m -134.98 130.15 35.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.167 -176.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 27.9 p30 -130.73 -174.32 3.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 175.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -74.8 -14.58 60.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.834 -175.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -93.82 -5.0 49.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 126.12 -164.87 19.54 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.463 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 94.4 mt -78.12 139.69 39.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.871 0.367 . . . . 0.0 110.846 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 89.5 p -146.88 173.62 12.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -172.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -132.76 136.36 46.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -128.04 155.61 44.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 177.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.0 45.64 25.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 174.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 93.5 t -79.31 127.74 38.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.199 -175.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -130.11 144.17 51.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.846 -178.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 98.7 t -96.21 129.94 45.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 -178.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 22.3 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.671 0.748 . . . . 0.0 111.143 -174.248 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 29.7 m120 . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.828 0.346 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.716 ' HA3' HD11 ' A' ' 19' ' ' ILE . . . -121.08 162.38 14.83 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.558 -178.443 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 93.8 m -120.43 140.52 51.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.744 0.307 . . . . 0.0 111.079 172.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.427 HD11 ' HB2' ' A' ' 10' ' ' TRP . 18.7 tt -74.62 134.06 30.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.216 -178.197 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.418 HG22 HG23 ' A' ' 9' ' ' THR . 91.6 m -102.82 -55.14 2.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.08 164.043 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.418 HG23 HG22 ' A' ' 8' ' ' THR . 72.7 p -139.63 152.9 47.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.128 171.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.427 ' HB2' HD11 ' A' ' 7' ' ' ILE . 17.3 t90 -127.92 120.56 27.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 173.298 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -110.64 82.39 1.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 177.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.76 -42.05 97.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.962 -173.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -69.4 -23.68 63.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.802 -176.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -96.97 -18.43 19.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.929 -179.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.99 33.64 54.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.532 -177.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -136.55 159.65 41.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.812 0.339 . . . . 0.0 110.841 178.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -157.09 168.94 34.12 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.508 170.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -114.95 136.64 52.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.766 0.317 . . . . 0.0 110.88 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.716 HD11 ' HA3' ' A' ' 5' ' ' GLY . 7.3 tp -124.54 135.67 63.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 -171.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -97.67 122.82 41.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 172.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 22' ' ' GLU . 57.0 t0 -78.05 146.91 35.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.946 179.004 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.441 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 94.3 mt-10 -57.27 -21.66 36.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 171.378 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 73.8 m-80 -80.88 -7.2 59.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.954 176.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.19 -0.11 68.51 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.463 177.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -86.88 130.23 34.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.798 0.332 . . . . 0.0 110.857 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 73.4 m-80 -94.18 128.93 40.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 178.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 96.2 mtm-85 -134.06 160.03 38.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.817 -174.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -95.63 134.29 38.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 177.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.403 ' HD1' ' HA ' ' A' ' 29' ' ' PHE . 2.0 m-30 -109.96 134.35 52.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.877 176.454 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -105.35 143.26 33.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 176.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.6 p -57.27 -25.4 23.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.18 177.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.9 mt -76.66 -31.6 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 175.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -94.46 9.82 36.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.971 -168.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.8 m -108.02 148.22 12.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.089 175.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.2 -34.97 78.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.125 -177.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.418 ' HB3' ' HB2' ' A' ' 39' ' ' LEU . 98.6 m-20 -107.88 85.39 2.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.631 0.729 . . . . 0.0 110.912 174.53 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -68.64 -60.69 0.08 OUTLIER 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.655 2.237 . . . . 0.0 112.347 178.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -66.79 -30.77 71.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 -177.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.418 ' HB2' ' HB3' ' A' ' 36' ' ' ASN . 91.3 mt -97.32 15.75 22.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 18.8 tt -56.01 132.7 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 176.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -138.54 176.37 8.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.929 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -39.82 130.32 1.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 172.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -74.25 3.84 6.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.817 -174.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.12 -5.31 17.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.113 177.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -148.33 81.98 1.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 171.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.0 m -140.54 160.02 24.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.155 177.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.2 t -140.41 144.9 36.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 169.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -154.87 170.01 22.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -167.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -110.67 134.03 21.02 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.611 0.72 . . . . 0.0 110.826 179.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.73 140.44 39.02 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.69 2.26 . . . . 0.0 112.347 -178.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 70.8 p -140.95 162.55 35.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 178.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.2 m -127.43 129.58 47.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.157 -178.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -120.68 99.99 6.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 175.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 59.98 -120.04 0.93 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -173.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -96.58 4.59 51.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 177.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -106.08 137.35 13.77 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.454 -177.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 99.4 mt -84.26 141.66 30.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.837 0.351 . . . . 0.0 110.866 177.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 78.4 p -147.4 175.73 10.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 176.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -148.46 142.64 26.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.13 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -140.05 175.88 9.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.991 -178.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 59.71 54.13 4.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.079 -172.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 52.8 t -91.89 105.43 16.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.133 -175.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -105.18 136.57 44.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -177.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 94.5 t -85.32 125.76 40.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.099 177.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 29.1 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 121.614 0.721 . . . . 0.0 111.09 -170.033 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 17.0 p30 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.89 0.376 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -172.33 -163.45 26.21 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.48 -175.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.0 t -130.35 141.56 50.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 0.0 111.138 -179.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 87.8 mt -83.37 124.96 40.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.142 -172.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 78.4 p -103.49 -28.9 11.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.226 -178.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 89.4 m -148.45 125.0 11.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.229 174.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -99.19 135.47 40.54 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.87 -175.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.627 ' CD2' ' O ' ' A' ' 11' ' ' PHE . 45.5 p90 -80.03 80.71 6.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.977 178.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -69.06 -68.83 0.37 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -178.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -100.21 -33.47 10.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 -174.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -90.4 -23.09 21.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -158.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.73 23.64 66.66 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.541 -175.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.436 ' C ' ' HB3' ' A' ' 11' ' ' PHE . 87.0 m-85 -128.71 116.2 19.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.863 0.363 . . . . 0.0 110.825 171.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -133.95 174.23 20.93 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 175.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -135.55 144.03 46.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.788 0.328 . . . . 0.0 110.871 -176.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.5 tp -130.33 136.53 58.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.181 -179.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -100.07 119.97 39.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 176.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 48.8 p30 -94.54 -178.82 4.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 -170.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -64.28 -20.2 65.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -90.13 -9.47 48.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -176.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.58 7.27 65.11 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.396 177.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -90.07 168.21 12.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.83 0.347 . . . . 0.0 110.863 -178.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -115.02 116.35 28.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 178.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 68.2 mtt85 -113.66 155.01 26.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -178.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -82.38 138.23 34.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.996 -172.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.6 m-30 -109.17 132.49 54.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 169.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -134.46 144.41 48.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.818 175.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.6 p -56.91 -28.98 29.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.076 -177.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.415 HG13 ' HG3' ' A' ' 33' ' ' LYS . 47.9 pt -77.79 -18.45 13.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.129 179.176 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.439 ' HB3' ' HA ' ' A' ' 60' ' ' TYR . 97.3 mttt -105.32 -4.17 21.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.329 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.478 HG22 ' HB ' ' A' ' 62' ' ' VAL . 86.1 t -106.51 123.38 61.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 177.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.81 -40.32 63.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 -171.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -85.06 155.64 60.71 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.646 0.736 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_exo -54.61 140.28 75.9 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.759 2.306 . . . . 0.0 112.362 -170.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 58.4 p30 -65.68 -5.29 8.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.842 174.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 98.4 mt -85.52 -8.78 58.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.955 175.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.3 mm -108.84 112.46 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.109 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.493 ' O ' ' HB2' ' A' ' 42' ' ' LYS . 65.6 pttt -130.64 154.1 48.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.972 179.535 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 41' ' ' LYS . 84.4 tttt 173.72 109.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.917 178.251 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 57.2 p-10 -74.55 -7.32 52.72 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.837 -174.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.438 ' HB3' ' HE2' ' A' ' 42' ' ' LYS . . . -80.83 -7.22 59.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.054 -176.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -166.93 125.76 1.4 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.042 176.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.0 p -162.54 145.0 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.095 169.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 58.4 m -132.03 140.62 48.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.102 178.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -154.75 168.14 27.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -171.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -107.8 127.4 27.78 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.651 0.738 . . . . 0.0 110.915 172.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -81.55 158.71 19.34 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.665 2.244 . . . . 0.0 112.294 -173.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.1 p -135.58 170.79 15.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 171.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.4 m -140.88 122.43 15.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 169.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' ' 56' ' ' GLY . 57.3 m-80 -120.29 162.89 18.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -176.581 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -67.48 -26.85 66.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 175.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -96.14 -10.28 28.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.427 ' O ' ' HB2' ' A' ' 53' ' ' ASN . . . 138.36 148.44 5.33 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.474 175.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.841 HD13 ' H ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -71.75 157.11 38.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.841 0.353 . . . . 0.0 110.888 -172.654 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 85.7 p -148.59 176.68 10.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 178.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -130.44 147.49 52.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.129 -176.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.439 ' HA ' ' HB3' ' A' ' 33' ' ' LYS . 26.0 p90 -145.09 174.08 11.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.943 179.42 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.14 49.44 17.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.082 -178.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.478 ' HB ' HG22 ' A' ' 34' ' ' VAL . 50.9 t -90.1 133.52 31.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.084 -171.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -123.44 124.93 43.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.949 175.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 97.5 t -111.69 136.51 47.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 174.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.7 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.629 0.728 . . . . 0.0 111.207 -170.471 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.3 mtt . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.796 0.331 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -135.91 85.19 2.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.149 -179.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 66.7 mtt -119.11 155.75 30.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -174.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -101.96 152.78 20.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -178.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.456 ' HA3' ' HE1' ' A' ' 48' ' ' PHE . . . -169.42 -171.19 34.82 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.466 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.9 t -140.15 148.87 42.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.77 0.319 . . . . 0.0 111.106 -176.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 94.6 mt -80.2 123.2 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 177.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.0 p -101.06 -33.5 10.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.196 -177.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.3 m -142.34 146.3 34.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 174.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 63.1 t-105 -140.07 126.61 20.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 -175.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -115.17 84.92 2.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 175.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -62.7 -26.0 68.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.91 -176.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -70.41 -30.09 66.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 177.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -102.92 -10.74 18.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -177.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.15 34.61 51.4 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.501 170.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -156.53 168.79 26.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.932 0.396 . . . . 0.0 110.841 170.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -148.85 -176.61 22.35 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 174.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -117.71 137.09 52.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.813 0.339 . . . . 0.0 110.893 -173.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 98.3 mt -134.47 139.94 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 -177.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -89.59 121.92 32.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -177.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -74.95 146.76 41.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.821 -177.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -51.57 -22.0 2.95 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 170.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 75.1 m-80 -89.43 -4.57 57.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -178.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.34 3.71 64.85 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.514 177.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -86.11 124.92 33.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.841 0.353 . . . . 0.0 110.837 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -94.05 109.61 21.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.951 178.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -138.63 163.97 30.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 -172.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -108.36 146.75 32.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -171.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -126.96 145.8 50.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.92 175.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -104.42 146.24 29.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -173.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.4 m -60.03 -25.23 32.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.085 -176.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 86.6 mt -69.72 -29.26 40.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 174.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -86.49 4.11 41.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 -176.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 98.2 t -98.53 125.89 51.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.97 -38.9 79.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 -178.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -69.45 152.16 96.5 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.625 0.726 . . . . 0.0 110.871 170.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -53.0 137.86 62.01 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.645 2.23 . . . . 0.0 112.353 -174.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 59.1 p30 -66.95 -5.32 12.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.845 176.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.2 mt -89.97 -5.29 56.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 177.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 87.8 mt -119.96 114.52 44.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 -178.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -133.77 149.7 51.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.419 ' HG3' ' H ' ' A' ' 44' ' ' ALA . 56.5 tptt -167.79 134.99 2.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 172.079 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 57.4 p-10 -87.03 0.3 55.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 -167.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.449 ' O ' ' HB2' ' A' ' 45' ' ' ALA . . . -84.49 -4.59 59.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.071 -165.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 44' ' ' ALA . . . 174.85 126.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 -176.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 92.2 t -135.63 145.62 31.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.073 171.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 89.9 m -120.95 132.02 54.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.177 168.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.456 ' HE1' ' HA3' ' A' ' 5' ' ' GLY . 51.4 p90 -155.32 166.71 32.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -166.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -96.85 143.94 27.0 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.606 0.717 . . . . 0.0 110.908 173.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -64.33 140.72 71.7 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.699 2.266 . . . . 0.0 112.353 178.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.7 t -160.8 178.55 9.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.13 -170.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 57.1 p -132.35 173.33 11.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 170.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 51.1 p30 -40.08 156.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 169.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 50.6 p-10 -76.91 11.58 1.7 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 -167.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -85.77 -28.28 24.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 173.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -112.33 -103.57 2.67 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.519 169.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.3 mt -73.96 149.78 41.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.806 0.336 . . . . 0.0 110.918 -170.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 97.5 p -104.47 162.99 12.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 178.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -130.5 145.64 51.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.096 -178.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -159.46 166.62 30.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 177.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.46 53.99 9.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.092 179.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 95.3 t -88.04 140.12 16.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.159 172.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -125.45 123.31 38.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -174.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 92.7 t -106.11 133.47 50.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.185 175.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.432 ' HB ' ' HB3' ' A' ' 45' ' ' ALA . 88.3 t -75.41 124.84 89.25 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.644 0.735 . . . . 0.0 111.176 -169.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -77.24 168.7 22.64 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.733 2.289 . . . . 0.0 112.328 -175.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 95.1 mt -105.9 35.43 2.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.922 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 54.67 40.76 32.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 -176.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -167.93 140.01 3.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 -178.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 56.8 p-80 -159.36 165.53 33.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.814 179.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -130.18 146.01 51.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 175.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -99.31 133.6 43.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -132.03 165.43 24.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.833 -176.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 65.9 t-80 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.801 179.731 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.5 mmm . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.751 0.31 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.79 85.61 1.77 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.102 178.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 62.8 mtt -112.92 153.79 27.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.848 -172.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -103.96 149.75 24.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 -174.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -160.03 -177.55 33.22 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.506 -178.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.8 t -136.44 149.1 48.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.751 0.31 . . . . 0.0 111.126 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.416 HG13 HG21 ' A' ' 46' ' ' VAL . 94.1 mt -80.98 121.11 33.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.075 178.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.7 m -100.37 -37.91 8.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.128 -176.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 89.9 m -138.84 140.15 38.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.183 -177.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 40.9 t-105 -142.06 126.74 18.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.978 -175.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -117.62 89.14 3.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.861 170.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -62.43 -25.34 67.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.89 -176.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -69.55 -28.88 66.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -103.21 -13.49 16.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.91 -178.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.42 32.68 68.08 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.496 -174.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.429 ' CZ ' ' HB3' ' A' ' 28' ' ' TYR . 86.7 t80 -143.01 135.11 27.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.928 0.394 . . . . 0.0 110.895 -167.149 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -151.5 -178.78 26.6 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.5 -173.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -134.87 135.01 41.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.775 0.321 . . . . 0.0 110.939 -173.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 92.4 mt -129.94 136.27 59.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.16 -171.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -106.07 122.2 45.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.948 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -82.1 139.39 34.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.833 177.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.68 -13.04 52.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 176.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -94.48 7.43 45.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 177.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.6 -1.16 75.14 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.535 171.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -85.45 90.86 8.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.858 0.361 . . . . 0.0 110.911 178.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -101.66 112.73 25.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.964 -173.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.444 ' HE ' ' HA ' ' A' ' 52' ' ' THR . 88.6 mmt-85 -139.07 156.84 46.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 -163.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.429 ' HB3' ' CZ ' ' A' ' 16' ' ' PHE . 88.4 m-85 -89.99 141.08 29.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 174.122 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -134.2 150.28 51.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.888 -178.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -110.16 147.91 32.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 177.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.4 m -59.18 -25.29 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.052 -176.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.1 mt -66.87 -29.93 47.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.148 176.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -86.09 5.17 34.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -176.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.46 ' HA ' ' HB ' ' A' ' 62' ' ' VAL . 54.6 t -94.67 120.19 43.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.045 -179.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.8 -40.13 76.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.093 -178.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -68.52 156.48 90.52 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.616 0.722 . . . . 0.0 110.886 170.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -49.72 126.78 17.17 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.625 2.217 . . . . 0.0 112.369 -175.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 58.9 p30 -67.82 -4.7 13.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.817 176.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.7 mt -87.56 -5.72 58.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.825 176.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 89.2 mt -119.36 114.18 43.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.094 -178.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -129.0 142.17 51.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.861 176.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.423 ' HG3' ' H ' ' A' ' 44' ' ' ALA . 56.3 tptt -169.13 130.49 1.16 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.916 173.065 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 56.3 p30 -81.06 4.37 20.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.86 -171.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.509 ' O ' ' HB2' ' A' ' 45' ' ' ALA . . . -81.11 -4.89 56.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.104 -170.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.509 ' HB2' ' O ' ' A' ' 44' ' ' ALA . . . 173.95 125.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.169 178.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.416 HG21 HG13 ' A' ' 7' ' ' ILE . 53.6 t -135.08 144.96 32.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.069 170.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.1 m -127.59 137.25 52.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.151 169.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 42.5 p90 -161.34 171.81 17.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -173.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -91.0 146.74 34.28 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.598 0.713 . . . . 0.0 110.917 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -63.12 141.66 83.97 Favored 'Trans proline' 0 N--CA 1.464 -0.227 0 C-N-CA 122.692 2.262 . . . . 0.0 112.433 174.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.6 t -164.01 173.02 13.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.179 -167.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.444 ' HA ' ' HE ' ' A' ' 27' ' ' ARG . 61.6 p -133.78 169.21 17.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.169 167.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -40.26 150.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.883 172.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 50.5 p-10 -76.4 14.18 0.81 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -166.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -79.6 -30.57 41.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 170.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -110.89 -88.76 1.88 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.543 164.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.413 ' HB2' ' H ' ' A' ' 52' ' ' THR . 98.5 mt -78.96 154.0 29.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.752 0.31 . . . . 0.0 110.906 -172.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 92.7 p -98.04 161.6 13.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 174.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -124.64 136.8 54.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.059 -179.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 53.5 p90 -161.91 168.43 22.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -176.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.99 54.43 8.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.117 176.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.46 ' HB ' ' HA ' ' A' ' 34' ' ' VAL . 94.9 t -88.62 138.53 19.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 169.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -127.35 119.26 25.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.969 -175.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 89.3 t -107.31 134.44 49.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 177.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 76.9 t -79.37 125.91 82.19 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.651 0.738 . . . . 0.0 111.201 -169.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -77.11 175.28 11.57 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.699 2.266 . . . . 0.0 112.37 -174.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 96.2 mt -115.57 34.2 5.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 178.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 53.69 38.23 27.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.944 -175.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -164.71 138.85 5.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.807 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -157.76 166.96 31.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 178.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -129.96 148.84 51.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.834 176.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -103.91 140.69 37.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 178.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -131.57 165.66 23.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.784 -177.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 65.9 t-80 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.83 179.736 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.7 mmm . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.813 0.339 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.19 91.9 2.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.123 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 62.1 mtt -105.98 145.95 30.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.861 -172.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -109.72 153.8 23.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.838 -176.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.69 -178.36 36.46 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.0 t -128.37 142.22 51.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.707 0.289 . . . . 0.0 111.101 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.431 HG13 HG21 ' A' ' 46' ' ' VAL . 97.2 mt -77.97 124.64 36.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 177.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 92.6 m -93.6 -39.19 10.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.182 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.432 HG22 ' HB3' ' A' ' 18' ' ' PHE . 11.2 t -149.67 148.84 29.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.178 178.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 52.4 t-105 -139.99 128.64 23.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.915 -172.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -118.86 90.1 3.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 176.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -65.19 -24.5 67.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.9 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -73.79 -30.51 62.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.911 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -100.47 -14.14 18.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.95 38.4 64.56 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.556 -176.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -152.21 142.83 22.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.964 0.411 . . . . 0.0 110.857 -166.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -159.26 -179.79 34.32 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.443 -177.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.432 ' HB3' HG22 ' A' ' 9' ' ' THR . 50.3 t80 -132.42 134.54 45.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 110.919 -172.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.408 HD13 HG11 ' A' ' 46' ' ' VAL . 98.7 mt -130.34 140.11 49.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.18 -172.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -104.86 124.08 48.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 178.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -79.71 137.25 36.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.816 -178.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -58.45 -17.21 18.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 173.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 75.1 m-80 -82.58 -2.2 53.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 177.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.47 -2.21 70.36 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.51 174.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -88.36 124.52 34.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.81 0.338 . . . . 0.0 110.87 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -99.54 122.94 43.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.958 -178.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -138.62 148.8 44.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 -169.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -98.81 142.17 30.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 173.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -131.54 145.42 51.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.842 -175.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -111.65 144.88 40.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.836 177.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 32.4 m -60.23 -22.39 24.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 -172.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 71.6 mt -62.9 -31.07 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -90.56 6.94 41.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 -178.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 54.7 t -100.3 122.4 52.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.13 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.58 -38.83 81.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.078 -176.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -73.63 154.88 89.49 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.646 0.736 . . . . 0.0 110.934 172.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.515 ' HB2' HG12 ' A' ' 40' ' ' ILE . 93.1 Cg_exo -54.07 138.6 70.95 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.694 2.263 . . . . 0.0 112.355 -171.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 60.0 p30 -60.82 -8.41 3.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 176.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.6 mt -85.16 -2.98 58.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 178.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.515 HG12 ' HB2' ' A' ' 37' ' ' PRO . 49.3 mm -105.27 112.65 39.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 -174.069 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -126.16 139.35 53.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 171.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -166.53 135.22 2.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 174.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 57.0 p-10 -91.01 -3.04 57.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.907 -166.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.435 ' O ' ' HB2' ' A' ' 45' ' ' ALA . . . -87.68 -3.91 58.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 -166.174 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.466 ' HB3' HG21 ' A' ' 65' ' ' VAL . . . 174.41 126.01 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.077 -174.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.431 HG21 HG13 ' A' ' 7' ' ' ILE . 86.4 t -137.9 145.49 28.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 164.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 89.7 m -122.74 139.35 54.07 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 171.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 39.7 p90 -157.8 169.56 24.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.804 -172.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -93.19 151.74 40.67 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.597 0.713 . . . . 0.0 110.877 176.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -62.37 138.08 69.15 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.698 2.265 . . . . 0.0 112.356 175.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.485 HG21 ' HB2' ' A' ' 59' ' ' ALA . 14.9 t -160.01 171.55 19.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.085 -170.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 33.8 p -134.84 176.08 8.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.198 164.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -37.87 153.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 167.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 50.6 p-10 -75.19 15.18 0.45 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.976 -163.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -90.44 -27.02 19.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.916 173.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -114.2 -104.82 2.6 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.421 172.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.6 mt -76.68 155.04 33.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 0.0 110.884 -168.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 92.7 p -110.24 157.38 19.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.485 ' HB2' HG21 ' A' ' 51' ' ' THR . . . -119.68 144.93 46.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.049 -179.319 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 54.6 p90 -154.88 164.11 39.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.941 -176.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.5 49.82 17.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.036 175.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 89.2 t -86.12 137.84 20.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 173.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -129.61 122.58 29.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -173.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 78.7 t -111.35 137.32 44.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 174.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.466 HG21 ' HB3' ' A' ' 45' ' ' ALA . 74.9 t -71.27 124.4 90.92 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.686 0.755 . . . . 0.0 111.178 -169.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -77.68 172.91 14.95 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.737 2.292 . . . . 0.0 112.294 -175.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 95.0 mt -124.74 32.65 5.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.967 -178.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 52.9 44.17 30.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 -176.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -158.18 138.84 12.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -177.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -158.16 171.75 19.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.815 178.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -130.3 148.51 52.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 177.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -107.3 142.36 37.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.819 178.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -131.88 163.34 28.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -177.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 65.9 t-80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.82 179.709 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.5 mmm . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.742 0.306 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -154.6 139.51 17.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.06 176.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 24.5 mmt -134.4 155.91 49.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 -109.14 157.16 19.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.928 178.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -173.15 -165.78 30.59 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.45 178.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 88.5 m -130.56 134.43 47.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.814 0.34 . . . . 0.0 111.075 175.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.6 mt -77.55 128.39 38.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.069 178.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.6 p -92.03 -26.48 18.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 -171.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 89.4 m -133.42 131.07 39.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.211 -177.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 18.1 t90 -88.82 114.11 25.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.889 177.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.435 ' HB3' ' O ' ' A' ' 16' ' ' PHE . 14.6 p90 -89.03 79.39 7.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.831 -179.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -75.55 -62.67 1.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.921 -176.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -95.83 -27.36 15.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -174.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -93.2 -31.95 14.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -163.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.57 19.82 78.93 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.454 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.435 ' O ' ' HB3' ' A' ' 11' ' ' PHE . 18.8 m-30 -109.66 109.27 19.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.908 0.385 . . . . 0.0 110.893 175.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -115.32 143.97 18.28 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.541 -171.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -128.37 138.2 52.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.908 0.385 . . . . 0.0 110.833 176.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.0 tt -129.98 139.44 51.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.187 -176.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.7 tptt -99.08 121.12 40.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.974 175.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -81.06 151.38 28.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.848 -170.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -60.28 -14.64 19.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.91 165.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -87.27 -13.26 44.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 173.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.81 2.29 59.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.497 171.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -92.34 147.11 23.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 110.897 176.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -94.66 128.56 41.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.788 173.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.7 mtt85 -119.05 142.34 47.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.805 -177.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -114.09 132.35 56.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -177.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -148.92 176.66 10.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.991 -172.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 67.7 m80 -124.9 158.47 33.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -172.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.4 ' O ' HG22 ' A' ' 34' ' ' VAL . 12.5 p -56.91 -25.18 21.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.125 176.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 45.9 pt -80.79 -14.26 12.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 -178.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -99.47 -5.43 29.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -171.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 31' ' ' VAL . 35.7 m -103.14 146.71 10.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.147 -172.464 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.77 -48.02 34.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.186 179.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -90.42 138.79 26.78 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-O 121.615 0.721 . . . . 0.0 110.864 173.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -75.97 165.38 29.98 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.609 2.206 . . . . 0.0 112.34 -167.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 53.0 p-10 -61.4 -14.58 29.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.899 175.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.0 mt -84.9 -27.98 26.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.94 -179.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 77.6 mt -110.06 86.76 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 177.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -127.21 150.5 49.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 175.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -157.94 142.51 16.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.872 177.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -84.5 -15.57 45.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.839 -160.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -84.24 2.19 41.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.197 -168.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -171.35 125.95 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.08 -176.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 89.4 t -140.69 135.9 34.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 164.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.6 t -138.67 147.85 43.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.147 172.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 53.9 p90 -150.52 167.49 27.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -168.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -101.71 127.82 30.38 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.605 0.717 . . . . 0.0 110.846 167.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -73.32 138.63 27.78 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.601 2.201 . . . . 0.0 112.306 -174.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.438 HG21 ' CD2' ' A' ' 60' ' ' TYR . 54.2 p -144.45 172.99 12.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.179 178.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.2 t -145.25 138.17 26.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.157 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 64.4 m-80 -120.83 163.3 18.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 171.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -67.32 -22.14 65.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 175.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -94.91 -4.66 46.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 145.19 165.95 11.48 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.433 176.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 88.5 mt -75.57 139.82 42.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.831 0.348 . . . . 0.0 110.891 -177.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 75.5 m -129.21 162.43 27.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -178.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -128.53 122.1 30.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.158 178.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.438 ' CD2' HG21 ' A' ' 51' ' ' THR . 21.5 m-30 -113.67 164.17 14.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 -172.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.01 54.29 9.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.106 176.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 95.6 t -83.37 132.65 30.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.196 -176.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -133.84 135.98 44.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 -170.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 93.0 t -97.99 125.02 51.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 175.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 85.8 t -99.27 118.99 61.57 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.594 0.712 . . . . 0.0 111.133 -171.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -76.7 160.04 34.8 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.598 2.199 . . . . 0.0 112.373 177.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 69.4 tp -66.45 -59.86 3.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 177.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -97.15 154.56 17.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 175.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 33.9 p80 -82.93 174.45 10.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 178.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 -68.5 121.14 15.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.841 177.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -97.23 143.04 28.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -115.9 145.02 43.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.939 -176.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -134.03 144.97 49.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.924 -177.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.852 -177.188 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.2 mmm . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.762 0.315 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.87 139.94 22.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.12 177.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 90.2 mmm -130.59 153.32 49.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.802 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -120.24 149.67 41.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 173.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -160.03 -176.43 32.1 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.485 179.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 96.2 m -119.69 136.51 54.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.722 0.296 . . . . 0.0 111.085 176.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.5 mm -80.73 124.72 38.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.097 -177.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 96.9 m -84.77 -40.82 16.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.109 -175.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 92.8 m -135.11 133.53 39.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.189 -174.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 21.7 t90 -84.18 125.37 32.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 176.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.626 ' HB3' ' O ' ' A' ' 16' ' ' PHE . 17.8 p90 -89.24 80.0 6.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -72.4 -64.02 1.03 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 -178.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -98.29 -29.45 13.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.801 -172.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -92.23 -26.86 17.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.975 -162.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.63 18.85 80.03 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.467 -178.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.626 ' O ' ' HB3' ' A' ' 11' ' ' PHE . 21.0 m-85 -115.86 127.83 55.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.946 0.403 . . . . 0.0 110.866 178.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -130.52 153.48 20.22 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.5 -175.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -127.76 143.37 51.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 0.0 110.831 175.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.6 tt -134.17 137.43 51.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.206 -178.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -102.36 122.59 44.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 173.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -81.55 154.73 26.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.824 -167.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -61.01 -15.31 30.48 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 170.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -85.03 -13.57 50.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.921 174.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.06 3.47 60.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.507 175.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -89.9 148.38 23.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.885 0.374 . . . . 0.0 110.857 177.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -96.61 128.97 44.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 175.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.435 ' HG2' ' HB3' ' A' ' 57' ' ' LEU . 44.3 mtt85 -119.97 142.63 48.59 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.829 -179.274 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -112.93 128.38 56.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.95 175.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -137.61 170.11 16.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.954 -174.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 52.7 m80 -119.99 157.69 28.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -174.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.0 p -51.25 -29.84 9.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.089 177.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 47.6 pt -75.15 -17.9 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 -178.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.1 mttp -95.21 4.63 53.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 39.0 t -108.33 128.28 63.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.09 -178.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.05 -40.46 78.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 -177.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.412 HD22 ' HB ' ' A' ' 64' ' ' VAL . 99.3 m-20 -83.82 147.75 52.53 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.536 0.684 . . . . 0.0 110.957 172.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -70.57 163.47 38.8 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.599 2.199 . . . . 0.0 112.389 -176.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 52.1 p-10 -60.5 -14.92 22.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 176.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.5 mt -83.86 -19.98 33.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 77.3 mt -113.93 92.76 2.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.1 177.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -140.5 134.71 31.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 173.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -162.76 152.22 15.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -172.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 57.4 p30 -83.45 6.63 19.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.851 -173.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.18 -14.35 59.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.134 -170.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.44 ' HB3' ' H ' ' A' ' 65' ' ' VAL . . . -176.44 138.06 0.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.072 176.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 63.7 t -138.86 133.27 41.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.119 170.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.7 t -148.18 149.38 31.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 167.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -154.31 168.8 25.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -177.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -94.73 139.56 22.27 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.667 0.746 . . . . 0.0 110.856 176.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -67.02 122.84 10.21 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.684 2.256 . . . . 0.0 112.306 -176.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 36.7 p -143.48 166.04 25.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.105 177.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 10.1 t -157.85 145.19 18.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.104 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 66.1 m-80 -115.61 162.74 16.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 175.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -68.27 -22.03 64.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 175.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -94.2 -4.2 49.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 147.27 159.76 8.51 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.5 179.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.435 ' HB3' ' HG2' ' A' ' 27' ' ' ARG . 11.2 mp -75.27 139.33 42.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.816 0.341 . . . . 0.0 110.923 -176.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 53.0 m -130.94 164.04 26.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.808 -176.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -113.33 134.7 54.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.181 176.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -129.64 147.17 51.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.975 -172.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 57.62 52.91 7.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.105 -176.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 88.5 t -80.23 129.78 37.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 -177.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -133.86 130.95 38.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -172.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.412 ' HB ' HD22 ' A' ' 36' ' ' ASN . 93.8 t -98.26 123.35 50.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.162 166.095 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.44 ' H ' ' HB3' ' A' ' 45' ' ' ALA . 83.9 t -97.4 119.57 62.65 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.628 0.728 . . . . 0.0 111.179 -168.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -77.15 165.15 28.45 Favored 'Trans proline' 0 C--O 1.233 0.261 0 C-N-CA 122.581 2.188 . . . . 0.0 112.441 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 69.4 tp -66.91 -59.17 3.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.964 178.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -102.39 156.23 17.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.964 176.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 34.0 p80 -80.65 173.71 12.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.805 178.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 66.0 t-80 -67.32 126.27 28.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.823 177.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -102.73 145.1 30.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.768 -178.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -117.72 144.67 45.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 -176.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -132.08 153.53 50.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.849 -178.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.83 -178.51 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.6 ttm . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.731 0.3 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.94 133.4 16.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 174.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 53.8 tpp -131.62 140.12 49.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 -176.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -108.2 150.44 27.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -176.71 -172.56 41.47 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.562 -178.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.3 p -128.43 147.74 50.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.824 0.345 . . . . 0.0 111.121 -178.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.1 mt -81.92 123.61 38.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.071 172.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.6 m -82.04 -39.33 23.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.033 175.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.1 t -147.52 141.41 25.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.174 177.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 18.2 t90 -129.6 124.87 34.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.951 -175.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -117.71 84.52 2.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 177.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -62.29 -38.56 89.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -177.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -70.13 -26.44 63.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -177.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -97.03 -13.65 22.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.9 31.72 61.81 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.464 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -135.33 142.95 45.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.967 0.413 . . . . 0.0 110.896 -174.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.401 ' HA3' ' CE1' ' A' ' 29' ' ' PHE . . . -142.1 162.22 27.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.466 176.069 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.495 ' CE2' ' HB3' ' A' ' 26' ' ' ASN . 45.7 t80 -139.35 132.98 30.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.889 0.375 . . . . 0.0 110.86 -178.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 43.4 pt -129.74 149.09 33.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.159 -162.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -108.28 131.27 54.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 169.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -76.13 156.31 33.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.809 -173.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -56.99 -17.37 9.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.78 163.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 -90.82 -7.03 53.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.834 175.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.18 -0.57 72.26 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.447 176.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -84.15 136.8 33.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.849 0.357 . . . . 0.0 110.873 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.495 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 72.6 m-80 -99.02 130.42 45.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.6 ptp85 -148.35 163.27 37.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 54.6 p90 -106.43 156.56 18.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.91 -174.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.401 ' CE1' ' HA3' ' A' ' 17' ' ' GLY . 31.2 p90 -139.72 162.34 35.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 172.314 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -119.76 147.62 44.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -178.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.6 p -57.96 -24.57 23.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.152 -179.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 49.3 pt -72.17 -18.89 19.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -97.48 14.44 26.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 58.7 t -101.85 127.45 55.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.1 -42.17 80.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 -175.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 -128.84 82.31 68.97 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.76 0.79 . . . . 0.0 110.943 177.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.74 -15.67 37.28 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.633 2.222 . . . . 0.0 112.358 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -74.86 -35.92 62.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 169.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 92.8 mt -100.09 -0.93 38.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.95 -175.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 18.8 tt -50.61 136.08 9.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.141 175.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -128.39 160.77 31.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.989 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.417 ' C ' ' N ' ' A' ' 44' ' ' ALA . 99.2 mttt -64.85 -176.46 0.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.781 171.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 57.6 p-10 -50.93 -12.65 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -178.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.417 ' N ' ' C ' ' A' ' 42' ' ' LYS . . . -53.34 -25.68 16.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 174.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -166.86 116.58 0.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.042 164.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 65.7 t -140.8 135.72 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 173.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.2 m -135.16 144.34 46.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.097 158.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 55.5 p90 -148.29 168.2 23.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -169.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -112.98 134.11 21.86 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.683 0.754 . . . . 0.0 110.815 172.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -78.32 148.64 24.06 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.664 2.243 . . . . 0.0 112.367 -174.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.1 t -155.11 163.02 40.83 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 175.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 85.4 m -131.8 129.58 40.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.081 -173.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.507 ' O ' ' HB2' ' A' ' 54' ' ' ASN . 60.0 t-20 -142.91 101.26 3.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 178.291 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.507 ' HB2' ' O ' ' A' ' 53' ' ' ASN . 71.9 m-20 74.96 -154.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -171.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -82.65 9.52 9.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -114.83 130.66 9.33 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.488 177.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 98.0 mt -80.69 145.02 31.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.756 0.313 . . . . 0.0 110.939 176.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.0 t -135.85 166.41 23.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 178.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -130.73 146.45 52.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.09 177.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -144.45 174.59 10.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.879 -176.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.45 54.27 8.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.055 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 93.0 t -79.02 131.38 34.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 -173.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -138.19 137.31 37.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -172.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 94.8 t -106.14 132.59 52.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.101 177.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.2 m -61.9 152.84 75.31 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.628 0.728 . . . . 0.0 111.111 -178.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -54.26 119.36 6.22 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.665 2.243 . . . . 0.0 112.332 178.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 92.5 mt -115.45 25.16 11.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 175.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -85.44 106.31 16.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -169.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 56.5 p-80 -75.46 -11.33 60.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.801 178.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -77.5 145.82 36.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.792 178.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -125.26 144.97 50.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -129.87 83.0 2.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.847 -176.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -125.21 45.07 2.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 -177.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.828 178.811 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.6 ttt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.761 0.315 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.05 155.74 34.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.05 178.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 28.3 ptm -129.43 163.16 26.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 178.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -100.76 152.64 20.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 178.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.602 ' HA3' ' HE1' ' A' ' 48' ' ' PHE . . . -161.71 -173.8 30.81 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.623 -176.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.8 p -132.5 142.76 49.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.752 0.311 . . . . 0.0 111.193 177.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.9 mt -92.1 120.56 41.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.143 167.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 73.2 p -96.69 -22.82 16.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.036 -173.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 96.9 m -139.46 129.93 25.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.144 174.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -130.59 109.87 10.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.952 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -111.86 85.77 2.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 177.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.03 -39.6 90.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 -176.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -65.92 -25.63 67.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -178.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -99.83 -16.2 18.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.908 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.06 23.95 74.92 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.454 -175.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.2 m-30 -108.32 142.4 38.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.973 0.416 . . . . 0.0 110.931 -175.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.697 ' HA3' ' CZ ' ' A' ' 29' ' ' PHE . . . -141.94 157.33 26.35 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.496 169.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -134.56 139.76 45.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.839 0.352 . . . . 0.0 110.905 176.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.8 mt -126.19 139.05 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.197 -172.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -103.74 128.6 51.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.786 174.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.442 ' HB3' ' H ' ' A' ' 23' ' ' ASN . 98.1 m-20 -83.27 157.64 22.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.82 -171.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -53.22 -18.91 2.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.814 160.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.442 ' H ' ' HB3' ' A' ' 21' ' ' ASP . 95.7 m-20 -89.86 -11.32 42.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 177.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.08 1.45 65.03 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.434 170.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -89.18 143.6 26.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.871 0.367 . . . . 0.0 110.897 178.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 -97.54 131.84 43.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 176.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -132.17 147.91 52.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -176.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.464 ' O ' ' HA ' ' A' ' 58' ' ' SER . 39.5 t80 -95.16 146.39 24.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -177.032 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.697 ' CZ ' ' HA3' ' A' ' 17' ' ' GLY . 34.2 p90 -140.02 158.72 43.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 170.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -109.8 145.35 36.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 171.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.9 m -59.29 -23.42 24.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.177 179.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.2 mt -69.42 -26.81 32.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.145 174.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -92.94 7.06 45.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -178.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.616 ' O ' ' HD3' ' A' ' 37' ' ' PRO . 96.9 t -100.6 135.37 36.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 -179.178 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.65 -42.09 91.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 -175.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -125.49 74.4 68.94 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.69 0.757 . . . . 0.0 110.893 176.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.616 ' HD3' ' O ' ' A' ' 34' ' ' VAL . 49.7 Cg_endo -70.28 -18.1 34.79 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 122.631 2.22 . . . . 0.0 112.369 179.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -73.07 -36.24 66.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.914 170.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.6 mt -97.89 -2.13 41.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -173.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 16.0 tt -63.46 137.02 25.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.198 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -138.22 169.5 17.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 -174.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -64.72 179.68 0.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.816 179.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 57.6 p30 -61.23 -2.26 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -176.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.32 -23.88 26.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.17 168.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -167.89 119.09 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.073 162.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.9 t -139.76 128.41 27.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 174.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 95.7 m -135.93 142.1 44.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.092 170.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.602 ' HE1' ' HA3' ' A' ' 5' ' ' GLY . 52.8 p90 -154.87 164.3 39.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.815 -175.229 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -92.22 143.02 26.84 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.649 0.737 . . . . 0.0 110.826 -178.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -56.47 131.39 45.43 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.685 2.257 . . . . 0.0 112.275 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.3 t -156.61 153.66 28.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 -175.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.9 t -150.49 140.88 22.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.077 174.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -138.19 79.1 1.72 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 -174.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 70.97 -154.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 173.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -78.75 -20.14 50.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -176.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -99.51 106.27 3.17 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.52 173.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.8 mt -73.95 130.21 39.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.838 0.351 . . . . 0.0 110.87 -170.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.464 ' HA ' ' O ' ' A' ' 28' ' ' TYR . 89.8 p -129.96 162.38 28.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 178.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.549 ' HB3' ' HB3' ' A' ' 29' ' ' PHE . . . -128.5 147.26 50.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.121 -177.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -135.46 156.54 48.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -176.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.87 61.16 3.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.066 171.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 95.3 t -83.83 104.55 12.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.163 -178.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -101.85 139.63 37.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.96 -176.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 86.0 t -105.41 138.75 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.143 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 35.2 m -100.96 154.3 37.23 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.611 0.719 . . . . 0.0 111.176 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -60.86 108.83 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.705 2.27 . . . . 0.0 112.358 -178.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 38.2 tp -77.73 -38.89 46.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.797 176.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -87.38 99.25 11.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -97.48 -7.8 30.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.813 176.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 33.9 p80 -64.63 160.69 19.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.771 176.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -138.62 148.58 44.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.88 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -133.13 75.53 1.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.808 177.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -125.98 44.98 2.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.827 -177.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.833 178.974 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.784 0.326 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.15 148.35 48.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.11 179.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 95.5 mtp -134.58 149.16 50.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -123.9 163.39 21.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.947 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.29 176.41 20.78 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.468 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 93.9 m -131.54 131.62 43.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.321 . . . . 0.0 111.174 175.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 97.1 mt -98.23 123.63 50.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 172.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.5 p -91.62 -29.71 16.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 -178.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 50.9 m -147.49 137.71 23.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.233 177.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 66.1 t90 -150.98 128.46 11.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.828 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -112.05 114.46 27.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 178.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.67 -48.99 78.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 178.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -74.58 -29.08 61.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -171.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -98.34 -25.12 14.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -169.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.13 33.61 49.19 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.485 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -111.07 133.26 53.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.888 0.375 . . . . 0.0 110.904 173.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -148.23 150.55 22.76 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.438 176.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -128.69 151.13 49.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.807 0.336 . . . . 0.0 110.877 -179.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 92.8 mt -129.59 136.08 60.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.221 177.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -97.99 121.01 39.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 172.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -82.29 165.92 19.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.846 -172.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.88 -20.06 61.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 171.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -86.08 -11.04 53.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 176.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.57 4.76 63.7 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.465 175.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -83.07 134.84 35.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.738 0.304 . . . . 0.0 110.864 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 -91.78 116.14 28.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 176.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.458 ' HG2' ' HB3' ' A' ' 57' ' ' LEU . 51.2 mtt85 -117.44 140.46 49.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 -175.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -95.11 134.92 37.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.96 177.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.51 ' HB3' ' HB3' ' A' ' 59' ' ' ALA . 34.6 p90 -129.54 164.83 22.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.843 -177.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.409 ' HB3' HG12 ' A' ' 32' ' ' ILE . 95.3 m-70 -109.25 143.42 38.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.796 173.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.2 m -62.51 -24.07 34.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.178 178.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.409 HG12 ' HB3' ' A' ' 30' ' ' HIS . 44.6 pt -75.63 -16.21 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.02 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -97.05 14.34 25.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.494 ' HA ' ' HB ' ' A' ' 62' ' ' VAL . 60.0 t -105.66 137.78 33.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 -179.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.18 -46.74 69.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.078 -177.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -138.11 82.45 24.6 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.64 0.733 . . . . 0.0 110.885 175.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -65.62 -14.44 44.79 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.669 2.246 . . . . 0.0 112.396 -178.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -71.24 -28.79 64.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 175.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 95.6 mt -97.4 -4.95 37.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.956 -172.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.4 mm -66.64 133.07 31.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 176.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.466 ' O ' ' HB2' ' A' ' 45' ' ' ALA . 99.3 mttt -124.24 156.34 37.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.881 177.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -49.18 -74.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -175.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -85.43 -28.42 25.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.886 -174.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -93.16 21.46 5.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 -170.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.466 ' HB2' ' O ' ' A' ' 41' ' ' LYS . . . -64.5 168.12 6.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.105 -172.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.3 m -106.98 -155.28 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 -171.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.0 t -107.58 168.68 9.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.089 -156.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -153.5 166.24 33.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -173.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -92.31 126.45 52.65 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.704 0.764 . . . . 0.0 110.881 172.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -72.85 151.26 50.88 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.683 2.255 . . . . 0.0 112.343 -174.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.9 t -164.95 173.95 11.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 178.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 86.9 m -141.82 138.14 31.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -128.12 159.8 33.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.876 176.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -74.39 -15.54 60.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.98 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -92.11 -14.36 29.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.836 177.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 147.78 169.78 15.28 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.499 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.458 ' HB3' ' HG2' ' A' ' 27' ' ' ARG . 96.1 mt -74.96 131.73 40.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.776 0.322 . . . . 0.0 110.961 -179.375 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 48.7 m -130.14 163.52 26.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -173.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.51 ' HB3' ' HB3' ' A' ' 29' ' ' PHE . . . -133.4 132.72 41.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.012 -178.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -134.38 166.21 23.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -177.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 56.29 56.81 5.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.121 177.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.494 ' HB ' ' HA ' ' A' ' 34' ' ' VAL . 93.9 t -77.42 122.71 32.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.22 179.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -119.35 125.3 48.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 -168.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 87.6 t -90.05 122.56 41.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 178.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 96.4 t -92.49 128.88 42.74 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.553 0.692 . . . . 0.0 111.161 177.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -65.24 117.84 4.92 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.707 2.272 . . . . 0.0 112.323 174.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 94.9 mt -92.55 -14.33 28.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -170.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -128.3 143.64 51.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -135.45 148.69 49.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 60.8 t-80 -96.67 144.76 26.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 -155.79 164.99 37.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 178.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 64.8 t-80 -160.05 142.78 13.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.771 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 33.4 p80 -168.05 164.75 13.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.823 179.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 . . . . . 0 C--N 1.331 -0.204 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.576 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.802 0.334 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.17 138.99 52.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 73.0 mtm -128.79 155.13 45.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -119.07 147.56 44.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -137.24 178.03 19.32 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.435 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 90.8 m -134.91 131.59 37.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.842 0.354 . . . . 0.0 111.153 173.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 82.4 mt -98.6 125.0 52.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.172 170.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 80.6 p -90.56 -26.94 19.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.075 -175.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.1 t -150.07 140.71 22.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.155 176.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 40.4 t90 -149.99 124.84 9.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 177.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -114.99 107.48 15.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.923 178.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.09 -40.27 97.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 178.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -77.01 -35.24 57.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.795 -173.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -94.39 -25.61 16.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 -173.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.61 30.75 55.9 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.548 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -114.2 131.47 56.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.933 0.397 . . . . 0.0 110.909 172.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -152.26 154.64 25.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.471 176.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 19.2 m-30 -118.1 149.68 40.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.872 0.368 . . . . 0.0 110.891 177.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.7 mt -126.09 132.13 70.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.173 174.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -104.34 120.31 40.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 171.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -86.87 169.06 12.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -171.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.35 -22.26 66.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 171.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -84.47 -10.78 57.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.816 176.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.72 6.22 62.41 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.478 176.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -77.22 135.92 38.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.773 0.32 . . . . 0.0 110.78 -178.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -99.78 110.38 22.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 176.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 81.4 mtt85 -109.64 143.18 39.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.834 -176.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -99.67 131.78 45.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 169.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 1.02 ' HB3' ' HB3' ' A' ' 59' ' ' ALA . 37.1 p90 -131.49 159.18 38.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.841 -176.015 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 30.6 m80 -106.33 147.65 28.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 173.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.3 m -59.31 -23.27 24.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 177.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.9 pt -76.59 -18.28 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.157 177.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -94.54 8.02 43.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 60.3 t -104.91 140.16 23.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.095 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.24 -42.91 71.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -134.69 79.41 53.0 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.635 0.731 . . . . 0.0 110.909 175.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -65.89 -19.66 58.41 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.736 2.291 . . . . 0.0 112.316 -178.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -69.53 -28.11 65.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 176.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.8 mt -96.39 -5.71 39.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -174.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 24.1 mm -61.24 128.03 21.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.217 178.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.664 ' H ' ' HB2' ' A' ' 45' ' ' ALA . 74.7 mmtt -127.3 176.69 7.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.934 176.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -68.38 -82.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.88 173.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -84.21 -22.66 30.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.835 -175.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.98 -12.34 44.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.082 -165.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.664 ' HB2' ' H ' ' A' ' 41' ' ' LYS . . . -78.13 165.74 23.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.106 174.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.9 m -124.74 166.48 20.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 178.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.0 t -80.93 -168.14 1.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.166 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -157.31 178.53 10.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.856 -156.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -55.55 138.55 68.94 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.775 0.797 . . . . 0.0 110.85 -178.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -69.97 145.88 57.23 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.682 2.254 . . . . 0.0 112.376 -172.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.8 t -158.44 153.71 25.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.231 178.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.7 t -152.8 149.36 28.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.204 -178.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -135.29 152.84 51.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.92 177.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -75.62 -22.9 56.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 -177.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -85.98 -15.78 40.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 148.62 165.88 12.5 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.456 176.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.8 mt -71.89 127.96 34.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.352 . . . . 0.0 110.962 -177.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 94.7 p -147.69 162.53 38.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.839 175.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 1.02 ' HB3' ' HB3' ' A' ' 29' ' ' PHE . . . -120.2 134.57 55.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.065 -167.366 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -139.44 156.02 47.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 52.29 52.81 13.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.121 177.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.4 t -77.18 131.41 34.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.17 -175.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -117.75 125.93 51.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 -172.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 85.8 t -97.32 125.37 50.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 88.4 t -104.55 128.44 26.92 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.572 0.701 . . . . 0.0 111.115 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -64.49 123.61 12.02 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.658 2.239 . . . . 0.0 112.359 176.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 94.6 mt -99.95 -12.1 20.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -174.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -128.14 142.61 51.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -137.39 150.24 47.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -177.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -102.13 144.75 30.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 34.0 p80 -152.96 171.75 17.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 178.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 -159.91 140.03 11.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.832 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 33.5 p80 -169.18 162.81 10.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.346 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.812 0.339 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.23 144.67 55.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 90.1 mtp -131.93 160.43 35.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 -96.24 153.06 18.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.914 -178.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.45 172.16 35.37 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 177.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.458 HG23 ' HA ' ' A' ' 43' ' ' ASP . 96.0 m -129.88 136.41 49.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.787 0.327 . . . . 0.0 111.154 176.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 83.7 mt -89.42 124.98 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.175 -174.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 57.9 p -100.52 -21.42 15.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 177.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 84.8 m -139.3 132.15 29.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.166 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 17.3 t90 -142.49 118.55 10.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -114.8 88.87 2.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.891 177.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -62.18 -39.28 92.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -176.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -66.35 -24.88 66.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -178.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -99.26 -15.38 18.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.8 23.54 76.34 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.529 -175.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.9 m-30 -110.83 142.96 42.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.871 0.367 . . . . 0.0 110.901 -175.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.405 ' HA3' ' CZ ' ' A' ' 29' ' ' PHE . . . -143.13 156.5 26.51 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.495 172.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -129.38 144.75 51.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.826 0.346 . . . . 0.0 110.88 175.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 93.7 mt -129.48 135.43 61.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 -177.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -98.9 125.66 44.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 169.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -84.93 165.07 17.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.884 -169.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -55.22 -23.88 24.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 167.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -86.58 -12.98 47.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 176.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.79 4.37 63.59 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.485 174.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -80.9 139.12 36.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.774 0.321 . . . . 0.0 110.887 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -90.72 117.29 29.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 177.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 81.5 mtt85 -115.13 139.13 50.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -176.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -103.6 135.32 45.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.936 178.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.635 ' HB3' ' HB3' ' A' ' 59' ' ' ALA . 29.8 p90 -138.53 161.38 37.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.85 -176.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 71.2 m80 -106.29 145.59 31.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.795 174.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.5 m -63.32 -21.35 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.8 pt -74.01 -16.5 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.151 177.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -95.89 17.11 15.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 175.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.404 ' HA ' ' HB ' ' A' ' 62' ' ' VAL . 53.2 t -111.99 139.39 36.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.194 -179.027 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.47 -42.87 82.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.119 -177.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -137.56 84.46 22.88 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.582 0.706 . . . . 0.0 110.899 174.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -66.28 -15.28 47.64 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.725 2.283 . . . . 0.0 112.323 -175.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -69.58 -26.29 64.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 177.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 95.9 mt -98.24 0.15 45.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -171.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 89.6 mt -54.32 134.28 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 174.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.534 ' O ' ' HB2' ' A' ' 45' ' ' ALA . 99.2 mttt -134.78 156.47 48.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 175.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -60.04 -80.73 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.458 ' HA ' HG23 ' A' ' 6' ' ' THR . 99.5 m-20 -77.88 -25.06 48.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.989 -176.381 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.58 14.46 20.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.104 -169.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.534 ' HB2' ' O ' ' A' ' 41' ' ' LYS . . . -62.34 158.92 16.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 -169.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.491 HG21 ' HA ' ' A' ' 64' ' ' VAL . 19.0 m -100.11 -140.11 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.193 -176.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 58.9 p -115.56 158.33 22.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 -156.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 47.0 p90 -151.64 164.42 36.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.862 -172.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -102.88 128.66 27.33 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.661 0.743 . . . . 0.0 110.935 169.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -68.55 137.01 38.07 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.648 2.232 . . . . 0.0 112.37 -177.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 71.9 p -141.88 163.35 33.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.151 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 92.3 m -133.29 135.18 44.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.208 -173.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 -127.59 163.96 23.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.91 175.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -69.03 -14.5 63.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 174.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -93.98 -6.46 45.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 179.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 138.04 178.98 16.59 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.49 178.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.7 mt -76.41 139.28 40.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.808 0.337 . . . . 0.0 110.96 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 93.1 p -142.2 169.17 18.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -172.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.635 ' HB3' ' HB3' ' A' ' 29' ' ' PHE . . . -127.72 144.57 51.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.06 -177.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -142.07 155.45 45.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -175.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 59.45 61.07 2.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.117 177.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.404 ' HB ' ' HA ' ' A' ' 34' ' ' VAL . 96.2 t -82.38 127.84 39.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.18 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -126.58 129.48 48.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -168.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.491 ' HA ' HG21 ' A' ' 46' ' ' VAL . 84.5 t -89.09 122.28 40.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.194 178.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 84.0 t -102.05 129.77 25.69 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.6 0.714 . . . . 0.0 111.131 177.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -63.62 116.27 3.55 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.705 2.27 . . . . 0.0 112.315 176.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 94.2 mt -96.01 -12.69 24.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -174.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -124.56 142.12 51.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 -179.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -136.04 148.33 48.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 -178.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 -78.66 144.25 35.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.902 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 -155.03 165.11 37.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 -160.02 143.15 13.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.821 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 57.0 p-80 -161.49 170.48 19.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.927 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 179.85 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.81 0.338 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.96 141.65 58.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.153 179.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 76.6 mtm -132.43 154.74 49.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -122.17 160.35 25.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.73 176.3 34.07 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.438 177.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.4 m -129.18 131.73 47.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.83 0.347 . . . . 0.0 111.124 -177.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 85.5 mt -99.12 125.0 52.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.185 170.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 79.4 p -90.85 -27.28 18.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 -175.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.3 t -150.34 141.29 22.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.12 176.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.518 ' HE1' HG12 ' A' ' 31' ' ' VAL . 38.9 t90 -149.88 124.97 10.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 177.42 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -114.85 106.63 14.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 177.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.45 -40.03 95.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -77.95 -34.86 50.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.832 -173.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -93.54 -27.32 16.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -173.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.2 29.62 53.06 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.52 -179.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -113.93 132.39 55.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.892 0.377 . . . . 0.0 110.9 172.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -156.87 157.96 28.42 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.448 176.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -119.61 149.94 41.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.887 0.375 . . . . 0.0 110.9 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.2 mt -126.31 132.16 70.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.187 174.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -104.96 120.62 41.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.921 172.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -88.49 169.02 12.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 -171.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.52 -22.43 66.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.83 172.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -84.44 -10.57 57.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 177.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.13 1.65 64.79 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.525 177.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -69.88 140.88 53.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.739 0.304 . . . . 0.0 110.892 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -106.78 110.05 22.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 176.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 84.0 mtt85 -109.25 143.03 39.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.816 -174.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -100.42 132.48 45.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.929 168.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.998 ' HB3' ' HB3' ' A' ' 59' ' ' ALA . 34.6 p90 -132.57 160.04 37.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.845 -175.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -107.36 148.34 29.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 172.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.518 HG12 ' HE1' ' A' ' 10' ' ' TRP . 28.5 m -59.9 -23.17 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.201 177.048 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.1 pt -77.0 -18.36 14.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.102 177.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -94.16 6.78 47.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 177.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 57.7 t -104.47 139.24 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.13 179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.23 -42.04 72.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -134.66 79.71 52.38 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.585 0.707 . . . . 0.0 110.882 175.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.38 -18.75 55.49 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.694 2.263 . . . . 0.0 112.352 -178.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -69.8 -27.9 65.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 175.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.2 mt -96.19 -5.95 39.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -174.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.9 mm -60.22 128.04 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.161 177.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.649 ' H ' ' HB2' ' A' ' 45' ' ' ALA . 74.5 mmtt -129.2 175.38 8.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.828 176.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -67.45 -82.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 174.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -86.79 -21.48 26.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.956 -176.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -86.49 -15.0 41.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.136 -166.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.649 ' HB2' ' H ' ' A' ' 41' ' ' LYS . . . -75.87 166.07 24.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 174.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.3 m -125.06 166.07 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.096 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.4 t -80.04 -168.56 1.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -156.91 178.24 10.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -157.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -54.97 137.37 65.95 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.658 0.742 . . . . 0.0 110.827 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -69.28 146.55 63.57 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.622 2.215 . . . . 0.0 112.374 -172.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.9 t -158.57 154.75 27.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 178.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.3 t -154.31 152.26 30.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.094 -178.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -138.61 151.86 47.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 178.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -74.92 -20.0 59.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.949 -176.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -87.15 -8.07 57.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.872 178.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 138.18 166.41 10.67 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.54 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.4 mt -72.37 129.76 39.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.836 0.351 . . . . 0.0 110.921 -176.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 91.8 p -151.27 162.04 41.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 178.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.998 ' HB3' ' HB3' ' A' ' 29' ' ' PHE . . . -119.98 134.94 55.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.145 -166.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -139.93 155.58 47.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.903 179.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 52.27 53.21 12.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.119 177.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 99.0 t -78.64 131.67 33.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 -175.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -117.41 125.78 51.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -174.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 73.0 t -98.5 125.44 51.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.17 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 99.7 t -110.32 129.08 24.33 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.626 0.727 . . . . 0.0 111.177 -177.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -65.13 137.61 52.92 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.699 2.266 . . . . 0.0 112.287 179.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 89.8 mt -107.16 -2.68 20.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -175.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -128.24 137.55 52.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -139.91 144.57 37.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -177.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -78.17 144.87 35.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.835 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 57.2 p-80 -155.06 165.0 38.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 178.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -159.96 143.72 14.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.818 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 34.5 p80 -162.82 170.8 17.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 179.45 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.9 mmm . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.81 0.338 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.53 142.15 55.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 73.5 mtm -128.79 154.09 46.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -113.79 149.88 34.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 -178.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.406 ' H ' ' HA ' ' A' ' 46' ' ' VAL . . . -145.21 175.27 24.88 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.475 177.494 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 97.1 m -132.08 137.07 47.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.861 0.363 . . . . 0.0 111.166 177.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.462 HG12 HG12 ' A' ' 19' ' ' ILE . 91.8 mt -89.95 124.73 42.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 170.119 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.7 p -90.79 -37.13 13.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 -173.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.3 p -140.86 148.09 39.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.146 174.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 38.2 t90 -150.11 124.85 9.78 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -119.78 107.64 13.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.832 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -63.86 -47.01 82.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.921 -178.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -73.66 -32.14 63.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 -171.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -97.5 -22.72 16.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 -174.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.38 36.18 45.39 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 176.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -113.84 130.18 56.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.964 0.412 . . . . 0.0 110.861 173.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -140.13 149.19 20.69 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 173.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -133.12 139.76 47.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.826 0.346 . . . . 0.0 110.823 -178.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.462 HG12 HG12 ' A' ' 7' ' ' ILE . 85.0 mt -125.72 137.7 56.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.213 -174.249 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -100.11 122.12 42.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 171.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -88.34 165.7 14.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 -171.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -58.3 -22.03 51.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 171.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -82.25 -13.17 57.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 176.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.22 4.8 62.59 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.518 174.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -86.09 140.51 30.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.804 0.335 . . . . 0.0 110.862 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 -96.94 111.47 23.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 175.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 66.1 mtt85 -120.31 146.15 46.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 -171.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -99.49 139.49 35.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 -175.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.828 ' HB3' ' HB3' ' A' ' 59' ' ' ALA . 26.1 p90 -133.68 159.11 41.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.349 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.44 ' HB3' HG12 ' A' ' 32' ' ' ILE . 93.2 m-70 -103.77 144.78 31.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.787 173.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.9 m -58.45 -23.76 23.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.168 176.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.44 HG12 ' HB3' ' A' ' 30' ' ' HIS . 42.4 pt -79.42 -17.14 13.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 177.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -94.73 12.52 27.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 178.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 61.4 t -100.12 134.44 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 175.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.02 -44.03 64.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.048 -178.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -130.88 81.17 67.93 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.634 0.73 . . . . 0.0 110.892 176.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -67.06 -17.92 51.29 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.727 2.285 . . . . 0.0 112.336 -178.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -70.86 -30.57 66.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 176.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 91.7 mt -92.44 -8.54 44.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -175.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.4 mm -58.42 127.67 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.144 177.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.572 ' HB2' ' HB3' ' A' ' 44' ' ' ALA . 99.2 mttt -138.24 155.53 48.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 171.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -42.57 -73.49 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.952 -175.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -95.09 -23.61 17.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.957 -174.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.572 ' HB3' ' HB2' ' A' ' 41' ' ' LYS . . . -83.91 -21.97 31.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.069 -162.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.56 ' HB2' ' H ' ' A' ' 41' ' ' LYS . . . -71.58 169.51 15.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.09 170.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.406 ' HA ' ' H ' ' A' ' 5' ' ' GLY . 32.6 m -126.48 168.82 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 -175.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.4 t -73.14 -166.6 0.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.115 -174.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -148.14 175.8 10.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -144.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -74.55 118.28 68.75 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.731 0.777 . . . . 0.0 110.907 176.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -55.81 137.13 77.65 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.726 2.284 . . . . 0.0 112.358 -177.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.444 HG21 ' HB3' ' A' ' 60' ' ' TYR . 45.6 p -140.83 157.99 44.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 172.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.0 t -146.04 139.72 26.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.129 176.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -126.37 168.12 14.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 178.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -73.34 -18.18 61.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.949 173.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -91.64 -12.31 34.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.831 178.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 143.71 -179.36 21.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.531 176.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.3 mt -79.04 139.92 38.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.781 0.324 . . . . 0.0 110.966 178.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 88.0 p -137.72 172.67 12.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.856 -177.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.828 ' HB3' ' HB3' ' A' ' 29' ' ' PHE . . . -122.75 140.62 52.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.042 178.276 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.444 ' HB3' HG21 ' A' ' 51' ' ' THR . 86.2 t80 -151.23 153.39 34.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.946 -175.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.44 54.88 7.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 -179.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 86.3 t -74.44 123.72 30.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 -177.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -123.14 129.95 52.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -173.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 71.9 t -98.96 125.61 52.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 78.4 t -100.79 130.82 24.51 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.58 0.705 . . . . 0.0 111.124 -179.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -63.9 121.47 9.18 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.69 2.26 . . . . 0.0 112.33 177.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 88.9 mt -99.52 -6.65 27.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 -176.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -126.59 141.27 51.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -138.3 149.25 45.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -178.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -101.49 144.9 29.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 33.6 p80 -153.84 171.09 19.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 178.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 65.1 t-80 -160.09 140.38 11.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 33.8 p80 -168.73 163.27 11.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.49 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 N--CA 1.458 -0.049 0 CA-C-O 120.841 0.353 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.81 139.23 48.86 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.171 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 70.8 mtm -128.5 157.34 41.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -119.9 148.21 43.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 -178.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -124.36 175.1 17.04 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.497 176.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 95.1 m -128.4 130.81 48.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.791 0.329 . . . . 0.0 111.228 176.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 95.7 mt -92.2 124.62 44.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.12 175.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.6 p -91.25 -28.73 17.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.158 -176.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.7 t -150.69 143.6 24.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.19 176.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 63.8 t90 -146.91 123.98 11.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -114.37 110.27 19.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -63.88 -46.14 86.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 177.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -75.32 -31.55 60.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -172.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -96.91 -25.39 15.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.825 -171.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.87 31.04 58.59 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.494 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -113.23 135.25 54.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.896 0.379 . . . . 0.0 110.932 173.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -149.24 151.38 23.52 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.472 175.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 16.6 m-30 -115.87 149.24 38.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.824 0.345 . . . . 0.0 110.916 176.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.6 mt -129.34 129.84 67.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.225 171.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -96.82 120.83 37.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.946 172.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -80.98 167.06 20.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.812 -173.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.11 -15.55 62.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 172.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -85.7 -11.4 53.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 174.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.96 6.11 59.35 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.48 173.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -86.58 133.2 33.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.771 0.32 . . . . 0.0 110.929 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 -95.47 111.98 23.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 176.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 70.4 mtt85 -119.19 148.22 43.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.892 -172.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -94.28 136.15 34.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.971 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.954 ' HB3' ' HB3' ' A' ' 59' ' ' ALA . 17.8 p90 -132.96 160.67 36.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -178.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 76.3 m80 -105.39 143.76 33.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.792 174.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.2 m -59.73 -23.65 26.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.204 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 45.2 pt -76.66 -15.65 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.109 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -96.97 18.23 15.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -177.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 57.3 t -108.5 136.39 44.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.173 176.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.64 -48.02 50.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.065 -177.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -135.05 79.89 49.5 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.559 0.695 . . . . 0.0 110.898 176.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -67.71 -16.97 47.49 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.658 2.238 . . . . 0.0 112.343 -178.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -68.51 -29.02 67.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 175.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.3 mt -93.86 -10.14 34.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 -178.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 40.2 mm -73.96 131.61 34.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 178.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.587 ' HB2' ' HB3' ' A' ' 44' ' ' ALA . 99.4 mttt -128.44 164.79 21.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.824 173.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -49.88 -69.97 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.985 -175.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -82.26 -28.78 31.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -176.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.587 ' HB3' ' HB2' ' A' ' 41' ' ' LYS . . . -92.12 13.32 19.28 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.079 -170.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.01 162.88 8.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.112 179.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.472 HG21 ' HA ' ' A' ' 64' ' ' VAL . 35.0 m -116.54 172.31 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 -176.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.0 t -83.19 -177.08 6.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 -177.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.423 ' HB3' HG22 ' A' ' 62' ' ' VAL . 45.4 p90 -152.55 166.78 30.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 -164.014 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -67.49 128.54 93.62 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.729 0.776 . . . . 0.0 110.844 176.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -66.65 141.58 60.86 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.659 2.239 . . . . 0.0 112.363 -173.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.0 t -159.67 157.57 29.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.8 t -149.02 140.3 23.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 -179.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -120.63 160.63 22.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.907 177.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -72.63 -19.59 61.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 175.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -89.2 -12.04 42.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 178.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 148.69 170.65 16.7 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.453 176.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.7 mt -78.79 141.83 37.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.84 0.352 . . . . 0.0 110.978 178.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 88.5 p -142.42 170.62 15.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.899 -174.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.954 ' HB3' ' HB3' ' A' ' 29' ' ' PHE . . . -119.47 139.85 51.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.072 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -147.95 143.58 27.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -173.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.16 63.44 2.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 178.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.423 HG22 ' HB3' ' A' ' 48' ' ' PHE . 89.0 t -71.73 119.69 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.121 174.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -113.8 118.93 35.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -166.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.472 ' HA ' HG21 ' A' ' 46' ' ' VAL . 85.0 t -92.84 125.16 45.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.117 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 92.8 t -94.82 129.32 36.38 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.563 0.697 . . . . 0.0 111.095 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -65.09 120.11 7.27 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.6 2.2 . . . . 0.0 112.352 177.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 93.0 mt -98.06 -14.12 20.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -174.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -126.94 142.85 51.44 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -136.71 150.46 48.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -177.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -101.38 145.0 29.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 57.2 p-80 -155.06 165.31 37.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 178.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 64.8 t-80 -160.01 142.16 13.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 33.2 p80 -169.03 161.35 10.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.844 179.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.686 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.83 0.348 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.83 143.34 57.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.211 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 76.4 mtm -131.33 154.62 48.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -120.91 159.75 24.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.915 179.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.42 176.88 34.48 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 178.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 93.2 m -130.36 131.62 45.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.784 0.325 . . . . 0.0 111.188 -179.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 88.6 mt -98.8 124.14 51.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.15 168.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.1 p -98.72 -24.75 14.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 -175.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 93.8 m -142.21 130.06 21.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.163 177.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 36.9 t90 -146.39 122.17 10.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 174.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -111.58 104.86 13.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 178.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -62.88 -40.59 98.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -178.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -76.04 -32.97 59.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 -174.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -98.06 -24.03 15.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -171.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.7 29.33 59.62 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.483 -177.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -109.98 120.57 42.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.893 0.378 . . . . 0.0 110.899 173.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -142.8 154.04 25.03 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.446 178.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -131.44 147.37 52.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.842 0.353 . . . . 0.0 110.848 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 91.3 mt -125.99 134.34 66.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.142 -179.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -103.02 121.78 43.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.939 172.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -89.16 168.77 12.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 -171.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.45 -22.4 66.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.82 172.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -83.63 -10.91 57.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.823 177.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.25 0.28 67.93 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.458 177.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -72.91 142.65 47.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.75 0.309 . . . . 0.0 110.874 178.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 72.5 m-80 -107.5 118.83 37.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.869 175.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.4 mtt85 -114.4 140.62 48.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.812 -175.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -99.49 133.08 44.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 171.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 1.109 ' HB3' ' HB3' ' A' ' 59' ' ' ALA . 38.0 p90 -134.75 161.7 34.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -175.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -108.14 150.14 27.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 172.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.7 m -59.12 -23.35 24.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.091 178.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.7 pt -76.88 -18.37 14.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.173 177.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -93.69 8.02 42.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 177.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 53.5 t -104.06 137.07 34.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.18 179.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.47 -41.07 73.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.043 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -134.6 80.66 50.06 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.628 0.728 . . . . 0.0 110.898 175.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.46 -18.31 54.54 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.666 2.244 . . . . 0.0 112.398 -178.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -69.81 -28.02 65.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.961 175.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 93.6 mt -94.99 -5.42 44.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.976 -174.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 22.5 mm -59.96 125.34 15.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.179 177.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.654 ' H ' ' HB2' ' A' ' 45' ' ' ALA . 74.5 mmtt -130.2 174.11 10.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 176.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -69.51 -83.71 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 175.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -85.2 -21.51 29.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.94 -176.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -85.67 -17.98 34.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.021 -166.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.654 ' HB2' ' H ' ' A' ' 41' ' ' LYS . . . -76.67 165.79 24.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 175.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.4 m -125.05 170.25 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.133 178.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.8 t -80.02 -168.86 1.78 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.161 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -156.87 178.48 10.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -156.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -53.96 134.54 57.82 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.698 0.761 . . . . 0.0 110.946 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -69.92 148.73 64.7 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.619 2.213 . . . . 0.0 112.349 -172.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.8 t -159.26 155.08 26.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.099 179.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.2 t -152.93 151.94 30.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.093 -178.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -144.64 149.33 35.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -75.19 -20.35 59.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 -175.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -86.81 -10.21 54.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 140.85 165.44 10.31 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.434 177.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.5 mt -72.65 129.85 39.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.846 0.355 . . . . 0.0 110.923 -176.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 92.4 p -148.59 160.25 43.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.882 177.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 1.109 ' HB3' ' HB3' ' A' ' 29' ' ' PHE . . . -119.32 136.59 54.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.064 -167.08 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -139.82 155.23 47.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 51.73 53.06 13.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.09 177.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 94.9 t -76.62 125.32 36.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.164 -175.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -117.24 127.67 54.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 -173.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 66.3 t -100.88 127.37 54.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.163 179.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 89.5 t -106.39 129.26 24.77 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.545 0.688 . . . . 0.0 111.135 -177.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -64.94 135.13 42.9 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.677 2.251 . . . . 0.0 112.339 178.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 87.6 mt -105.83 -2.09 23.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 -174.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -127.86 136.44 51.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -139.56 145.18 38.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 -177.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 62.1 t-80 -84.31 144.3 28.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 57.2 p-80 -155.16 165.04 37.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 178.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 64.2 t-80 -160.05 143.44 13.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 34.3 p80 -164.3 170.03 16.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 179.572 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.844 0.354 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.2 142.98 49.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 56.5 ttm -134.34 140.88 46.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -125.06 153.15 43.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.847 179.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -122.41 173.07 15.88 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.45 175.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.0 m -126.77 129.95 49.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.821 0.343 . . . . 0.0 111.186 174.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 90.2 mt -93.74 124.67 46.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.138 177.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.0 p -90.97 -26.94 19.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.165 -178.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.4 t -150.48 142.32 23.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.201 176.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 32.9 t90 -148.29 124.69 10.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.831 -178.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -120.01 107.57 13.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.834 178.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.75 -42.01 95.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 176.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -75.28 -31.73 60.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 -173.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -98.44 -24.25 15.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.967 -173.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.14 30.59 58.73 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.509 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -113.07 132.8 55.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.961 0.41 . . . . 0.0 110.945 172.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -149.75 151.98 23.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.423 175.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 16.0 m-30 -116.95 149.39 40.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.869 0.366 . . . . 0.0 110.838 176.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.9 mt -129.67 131.44 66.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.204 172.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -99.98 121.65 41.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 172.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -85.65 167.45 15.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -172.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -64.76 -19.65 65.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 172.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -82.78 -12.87 57.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.867 174.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.16 6.6 57.72 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.453 171.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -85.89 132.79 34.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.743 0.306 . . . . 0.0 110.904 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -95.1 110.93 22.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 174.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 69.9 mtt85 -116.53 146.12 42.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.879 -171.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -96.07 136.01 37.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 1.014 ' HB3' ' HB3' ' A' ' 59' ' ' ALA . 22.7 p90 -135.67 161.43 35.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.882 -178.403 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -105.08 144.78 31.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.802 174.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.2 m -59.85 -24.18 28.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.218 177.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 45.0 pt -76.61 -15.32 14.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 178.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -96.55 17.16 16.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 57.3 t -108.91 138.58 35.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 177.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.89 -47.57 58.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 -178.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -134.49 81.03 49.75 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.613 0.72 . . . . 0.0 110.959 175.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -67.01 -17.48 51.28 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.703 2.268 . . . . 0.0 112.359 -178.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -68.9 -28.24 66.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 176.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.7 mt -95.15 -9.91 32.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.913 -176.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 37.0 mm -71.12 128.23 34.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 178.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.532 ' HB2' ' HB3' ' A' ' 44' ' ' ALA . 74.5 mmtt -121.8 168.76 11.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 173.336 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -54.01 -69.86 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -82.87 -30.98 28.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -174.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.532 ' HB3' ' HB2' ' A' ' 41' ' ' LYS . . . -91.96 17.33 9.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 -171.193 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' A' ' 41' ' ' LYS . . . -64.77 163.32 14.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.068 -178.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.428 HG21 ' HA ' ' A' ' 64' ' ' VAL . 34.5 m -116.39 169.46 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 -173.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.8 t -85.82 -176.47 6.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.09 -175.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.4 ' HB3' HG22 ' A' ' 62' ' ' VAL . 37.0 p90 -154.92 168.65 26.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -164.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -72.0 135.84 82.58 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.635 0.731 . . . . 0.0 110.931 176.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -67.22 139.13 49.23 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 -174.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.4 t -159.67 155.34 25.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.167 178.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.8 t -147.98 142.34 26.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.148 -176.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 -120.6 163.72 17.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.843 176.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -75.06 -18.67 60.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.948 174.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -90.2 -10.74 43.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 178.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 148.37 171.37 17.19 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.438 178.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.2 mt -77.89 141.19 39.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 0.0 110.994 178.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 88.2 p -140.33 169.6 17.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -174.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 1.014 ' HB3' ' HB3' ' A' ' 29' ' ' PHE . . . -121.8 139.81 53.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.074 -179.334 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -149.26 146.72 27.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 -174.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 56.12 60.39 3.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.142 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.4 HG22 ' HB3' ' A' ' 48' ' ' PHE . 84.3 t -73.84 120.36 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.179 176.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -114.21 121.02 42.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -167.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.428 ' HA ' HG21 ' A' ' 46' ' ' VAL . 88.3 t -92.83 123.3 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.158 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 88.1 t -94.53 128.34 40.49 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.574 0.702 . . . . 0.0 111.181 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -65.41 120.34 7.53 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.708 2.272 . . . . 0.0 112.343 177.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 94.2 mt -95.94 -13.53 23.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -175.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -126.77 142.78 51.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.806 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -136.58 150.35 48.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 -178.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -101.43 144.98 29.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.919 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 57.2 p-80 -155.37 165.03 37.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.858 178.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 64.9 t-80 -160.03 142.26 13.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 33.4 p80 -168.58 161.52 11.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.803 179.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.7 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 C--O 1.229 0.026 0 CA-C-O 120.789 0.328 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.07 144.84 50.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.095 179.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 75.0 mtm -141.81 148.11 38.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -178.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 25.4 p30 -121.59 171.84 8.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 178.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.83 174.71 30.07 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.459 178.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 96.4 m -130.96 130.68 43.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.803 0.335 . . . . 0.0 111.168 -178.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 97.1 mt -93.23 128.77 44.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.181 172.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.0 p -89.32 -47.8 7.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.146 -176.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 71.3 p -136.13 147.34 47.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.158 172.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 66.3 t90 -151.31 123.52 8.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -118.42 106.91 13.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.84 -177.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -62.73 -50.33 71.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.953 -175.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -70.33 -28.33 65.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.822 -172.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -97.28 -17.94 19.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -175.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.11 42.22 29.77 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.514 174.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -120.61 143.62 48.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.896 0.379 . . . . 0.0 110.96 175.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -149.63 147.48 17.83 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.426 167.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -132.49 142.11 49.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.843 0.354 . . . . 0.0 110.892 -177.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 95.5 mt -124.19 136.68 59.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.258 -175.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -102.17 120.77 41.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 176.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -85.36 168.25 14.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 -173.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.61 -20.16 63.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 172.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -83.85 -12.89 54.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.801 175.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.12 4.82 62.74 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 173.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -81.2 136.92 35.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.776 0.322 . . . . 0.0 110.896 179.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -97.67 111.42 23.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 176.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 71.7 mtt85 -115.73 145.17 43.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.817 -172.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -94.26 138.89 31.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 178.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.577 ' HB3' ' HB3' ' A' ' 59' ' ' ALA . 41.5 p90 -132.27 160.74 35.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.891 -178.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.471 ' HB3' HG12 ' A' ' 32' ' ' ILE . 80.0 m80 -106.69 142.13 36.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 172.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.6 m -64.4 -22.0 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.093 178.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.471 HG12 ' HB3' ' A' ' 30' ' ' HIS . 46.0 pt -75.78 -17.22 15.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 177.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -93.82 17.8 11.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.998 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.503 ' HA ' ' HB ' ' A' ' 62' ' ' VAL . 71.6 t -111.46 136.82 46.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.159 -178.142 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.9 -45.32 74.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.072 -177.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -138.65 82.43 21.7 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.637 0.732 . . . . 0.0 110.931 175.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.58 -14.46 44.94 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.743 2.295 . . . . 0.0 112.337 -177.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -70.54 -28.88 65.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.918 177.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.6 mt -95.66 -6.42 40.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.961 -173.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 38.2 mm -62.66 135.37 27.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 177.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.55 ' O ' ' HB2' ' A' ' 45' ' ' ALA . 99.4 mttt -128.0 155.04 44.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 175.225 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -51.9 -72.75 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -174.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -84.98 -29.32 25.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.86 -176.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.58 22.86 4.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.115 -172.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.55 ' HB2' ' O ' ' A' ' 41' ' ' LYS . . . -65.37 170.17 5.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.079 -171.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.411 HG21 ' HA ' ' A' ' 64' ' ' VAL . 35.9 m -106.43 -155.06 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 -173.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.0 t -113.72 163.22 15.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.166 -156.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -152.66 165.75 34.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.861 -168.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -98.52 127.51 35.75 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.692 0.758 . . . . 0.0 110.892 169.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -69.1 133.88 27.93 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.637 2.225 . . . . 0.0 112.36 -177.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 81.8 p -140.2 160.92 38.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.187 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.9 m -132.67 135.34 45.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.109 -174.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -127.28 169.57 13.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.877 176.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -69.47 -14.81 63.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 174.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -94.68 -7.33 41.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 135.56 -174.91 21.06 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.469 178.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.9 mt -79.59 141.38 36.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.81 0.338 . . . . 0.0 110.976 -179.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 87.9 p -144.42 170.16 16.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -172.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.577 ' HB3' ' HB3' ' A' ' 29' ' ' PHE . . . -124.17 143.18 50.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.022 -176.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -141.87 153.98 44.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -176.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 57.51 59.35 3.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.204 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.503 ' HB ' ' HA ' ' A' ' 34' ' ' VAL . 91.0 t -78.81 124.7 37.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.127 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -120.2 128.23 53.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.874 -171.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.411 ' HA ' HG21 ' A' ' 46' ' ' VAL . 91.9 t -89.04 122.38 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.208 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 97.3 t -96.22 130.18 31.71 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.655 0.74 . . . . 0.0 111.132 176.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -61.7 110.23 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.652 2.234 . . . . 0.0 112.378 175.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 95.1 mt -94.93 -16.2 23.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.842 -174.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -117.83 140.31 49.87 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 178.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -135.96 148.01 48.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -178.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 64.6 t-80 -78.22 144.83 35.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 -155.02 164.99 38.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 178.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 64.2 t-80 -159.96 143.51 14.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 57.3 p-80 -162.73 169.68 19.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.868 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.704 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.2 mtp . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.836 0.35 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.35 155.57 28.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.172 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 74.9 mtm -130.32 154.97 47.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.888 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -107.57 146.0 32.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -160.05 -167.91 21.28 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.495 -176.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.7 t -147.0 136.99 23.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.773 0.32 . . . . 0.0 111.153 176.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 89.5 mt -82.91 126.15 40.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.104 174.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.7 p -92.2 -29.93 16.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.194 -169.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.3 t -159.59 147.75 17.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 178.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 43.9 p90 -139.85 125.32 19.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.957 176.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -109.24 101.72 10.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.837 -176.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -63.64 -35.63 81.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -177.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -68.08 -31.17 70.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.814 -176.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -100.34 -18.83 16.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -177.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.05 14.6 78.78 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.445 -177.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -112.62 155.43 24.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.941 0.4 . . . . 0.0 110.863 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -150.27 168.66 30.24 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.47 171.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.428 ' CE2' ' HB3' ' A' ' 28' ' ' TYR . 94.5 m-85 -129.59 139.96 51.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.847 0.355 . . . . 0.0 110.844 -178.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.8 tt -134.39 139.54 47.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.06 -172.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -94.02 124.88 38.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 178.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -79.78 160.11 26.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 -175.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 50.8 tt0 -55.71 -23.18 27.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 167.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -85.29 -9.43 57.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 178.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.86 3.68 65.82 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.56 175.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -83.92 149.91 26.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.912 0.387 . . . . 0.0 110.874 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 -100.27 115.39 29.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 175.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 67.5 mtt85 -120.32 144.9 47.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -177.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.428 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 32.1 p90 -106.84 152.18 24.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 -177.155 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -146.83 158.53 43.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.931 -179.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 66.6 t-80 -110.97 147.34 34.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 171.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.8 t -51.12 -40.3 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.103 -179.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 85.8 mt -68.72 -28.24 39.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.059 178.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -84.89 1.65 46.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.99 -176.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.642 HG13 ' HB ' ' A' ' 62' ' ' VAL . 95.5 t -107.82 135.44 46.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.144 -179.305 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.1 -42.24 76.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.052 -177.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.444 ' HA ' HD22 ' A' ' 36' ' ' ASN . 9.5 m120 -78.27 154.29 79.53 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.603 0.716 . . . . 0.0 110.842 175.073 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.416 ' C ' ' H ' ' A' ' 39' ' ' LEU . 43.8 Cg_endo -70.69 169.01 21.13 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.743 2.295 . . . . 0.0 112.358 -175.216 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 49.1 p30 -70.57 9.66 0.61 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 -177.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.416 ' H ' ' C ' ' A' ' 37' ' ' PRO . 95.5 mt -82.41 -2.64 53.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 174.501 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.517 HD11 HG11 ' A' ' 34' ' ' VAL . 33.4 pt -91.85 14.42 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 -179.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.886 ' HD2' ' O ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -80.03 98.43 7.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -178.2 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -171.26 165.3 7.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.954 -173.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -74.77 -30.98 61.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.828 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.91 -6.12 55.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 -173.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.38 154.93 36.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.084 177.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.0 m -119.57 172.52 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.221 -173.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.2 t -100.24 -163.34 1.02 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.091 -172.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -165.87 172.54 11.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 -156.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -55.25 129.96 68.49 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.644 0.735 . . . . 0.0 110.886 178.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -76.34 153.67 35.76 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.64 2.226 . . . . 0.0 112.359 -172.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 59.0 p -136.42 156.92 47.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 174.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 85.4 m -133.36 130.99 39.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.196 -175.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 26.5 p30 -133.88 -178.53 5.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 173.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -73.51 -16.85 61.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -174.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -92.8 -7.23 47.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -177.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 135.02 -173.01 21.79 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.455 178.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.0 mt -79.71 138.86 37.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.863 0.363 . . . . 0.0 110.809 178.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 98.8 p -144.58 172.25 13.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.847 -169.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -132.28 135.41 46.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.151 177.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -125.79 154.77 42.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.012 177.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 54.02 45.53 27.4 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.072 174.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.642 ' HB ' HG13 ' A' ' 34' ' ' VAL . 97.0 t -73.25 124.95 31.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.119 -170.231 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -115.69 131.8 56.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -176.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 93.7 t -108.57 133.29 54.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.127 -177.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.8 m -89.37 148.79 41.35 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.627 0.727 . . . . 0.0 111.158 -171.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -68.24 120.34 7.31 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.72 2.28 . . . . 0.0 112.402 175.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 96.4 mt -98.24 -19.06 18.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.938 -177.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -74.63 130.02 38.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.794 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 61.9 t-80 -63.64 138.07 58.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.835 176.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.7 p80 -59.96 167.22 2.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -125.07 160.71 28.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.818 -178.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 55.7 p-80 -160.86 173.17 15.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -178.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -127.0 146.69 50.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 178.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 85.0 t60 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 -178.658 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.1 mtp . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.795 0.331 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -154.96 154.97 33.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.071 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 75.0 mtm -128.47 154.94 45.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.967 179.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -105.37 150.99 24.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.864 -176.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -161.51 -166.63 20.62 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.426 176.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.2 t -146.93 139.71 25.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.801 0.334 . . . . 0.0 111.105 174.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 95.1 mt -83.85 125.01 40.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.069 176.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 80.7 p -93.88 -29.84 15.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 -170.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.1 t -157.63 154.87 29.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 176.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 32.8 t-105 -139.87 125.12 18.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -176.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -112.12 85.66 2.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.8 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -62.1 -36.55 82.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -177.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -65.69 -26.16 67.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -102.58 -13.48 17.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.93 23.1 77.14 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.476 -178.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -116.0 154.37 29.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.892 0.377 . . . . 0.0 110.864 -177.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -143.76 157.36 27.02 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.461 166.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.494 ' CE2' ' HB3' ' A' ' 28' ' ' TYR . 73.1 m-85 -123.61 136.94 54.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.871 0.367 . . . . 0.0 110.87 -178.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.9 tt -133.46 138.17 51.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 -171.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -96.47 124.9 40.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -178.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -85.09 152.29 23.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.976 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -69.6 -7.29 37.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.838 171.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -83.18 -10.94 58.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 171.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.16 1.03 59.61 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.456 172.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -97.66 141.57 30.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.891 0.377 . . . . 0.0 110.833 178.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -97.3 126.91 42.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.949 175.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 75.9 mtt85 -124.39 144.49 50.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -175.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.494 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 43.5 p90 -110.52 152.03 26.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 -178.635 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -148.35 156.56 42.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.9 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 66.0 t-80 -108.03 147.18 31.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 176.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 66.9 t -53.15 -38.29 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.161 -179.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 90.0 mt -73.21 -28.99 26.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.101 178.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -88.72 5.43 43.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 -171.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.9 m -124.27 156.78 31.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.55 -42.54 52.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.078 -174.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.462 ' HB3' HG21 ' A' ' 40' ' ' ILE . 1.0 OUTLIER -85.92 150.26 52.5 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.582 0.706 . . . . 0.0 110.865 -179.55 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.403 ' C ' ' H ' ' A' ' 39' ' ' LEU . 55.4 Cg_endo -76.0 177.85 8.21 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.752 2.302 . . . . 0.0 112.327 -170.512 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 53.3 p30 -70.05 7.96 0.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.956 -177.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.403 ' H ' ' C ' ' A' ' 37' ' ' PRO . 96.2 mt -80.05 -3.98 50.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.947 173.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.462 HG21 ' HB3' ' A' ' 36' ' ' ASN . 36.8 pt -89.55 12.59 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 -179.18 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.804 ' HD2' ' O ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -80.02 98.68 7.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -170.5 165.02 8.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 -177.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -73.06 -33.05 65.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -178.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -84.68 -0.15 52.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 -173.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.15 157.64 21.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.222 178.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.5 m -115.98 166.69 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.116 -171.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.0 t -101.54 -164.08 1.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 -175.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -163.72 171.56 15.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.952 -159.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -53.67 128.95 54.21 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.637 0.732 . . . . 0.0 110.893 177.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -77.3 154.7 32.31 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.654 2.236 . . . . 0.0 112.392 -171.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 64.7 p -136.47 159.69 41.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.122 175.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.0 m -134.98 130.15 35.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.167 -176.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 27.9 p30 -130.73 -174.32 3.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 175.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -74.8 -14.58 60.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.834 -175.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -93.82 -5.0 49.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 126.12 -164.87 19.54 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.463 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 94.4 mt -78.12 139.69 39.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.871 0.367 . . . . 0.0 110.846 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 89.5 p -146.88 173.62 12.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -172.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -132.76 136.36 46.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -128.04 155.61 44.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 177.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.0 45.64 25.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 174.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 93.5 t -79.31 127.74 38.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.199 -175.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -130.11 144.17 51.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.846 -178.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 98.7 t -96.21 129.94 45.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 -178.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 22.3 m -97.94 151.81 37.75 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.671 0.748 . . . . 0.0 111.143 -174.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -63.37 112.08 1.64 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.712 2.275 . . . . 0.0 112.327 177.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 94.0 mt -93.39 -14.62 26.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -62.51 130.64 46.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 178.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 -64.23 137.82 58.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.823 176.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 31.3 p80 -60.06 167.94 2.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -125.99 156.7 39.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -177.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 57.3 p-80 -164.86 173.85 11.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.818 -177.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -126.74 147.15 50.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 178.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 85.3 t60 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 -178.81 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.4 mtp . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.762 0.315 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.87 -34.55 10.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.02 -174.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.7 ptp -144.57 164.53 30.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.828 -177.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -104.3 158.96 16.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.963 -179.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.716 ' HA3' HD11 ' A' ' 19' ' ' ILE . . . -121.08 162.38 14.83 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.558 -178.443 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 93.8 m -120.43 140.52 51.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.744 0.307 . . . . 0.0 111.079 172.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.427 HD11 ' HB2' ' A' ' 10' ' ' TRP . 18.7 tt -74.62 134.06 30.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.216 -178.197 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.418 HG22 HG23 ' A' ' 9' ' ' THR . 91.6 m -102.82 -55.14 2.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.08 164.043 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.418 HG23 HG22 ' A' ' 8' ' ' THR . 72.7 p -139.63 152.9 47.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.128 171.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.427 ' HB2' HD11 ' A' ' 7' ' ' ILE . 17.3 t90 -127.92 120.56 27.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 173.298 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -110.64 82.39 1.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 177.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.76 -42.05 97.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.962 -173.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -69.4 -23.68 63.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.802 -176.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -96.97 -18.43 19.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.929 -179.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.99 33.64 54.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.532 -177.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -136.55 159.65 41.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.812 0.339 . . . . 0.0 110.841 178.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -157.09 168.94 34.12 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.508 170.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -114.95 136.64 52.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.766 0.317 . . . . 0.0 110.88 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.716 HD11 ' HA3' ' A' ' 5' ' ' GLY . 7.3 tp -124.54 135.67 63.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 -171.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -97.67 122.82 41.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 172.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 22' ' ' GLU . 57.0 t0 -78.05 146.91 35.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.946 179.004 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.441 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 94.3 mt-10 -57.27 -21.66 36.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 171.378 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 73.8 m-80 -80.88 -7.2 59.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.954 176.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.19 -0.11 68.51 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.463 177.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -86.88 130.23 34.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.798 0.332 . . . . 0.0 110.857 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 73.4 m-80 -94.18 128.93 40.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 178.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 96.2 mtm-85 -134.06 160.03 38.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.817 -174.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -95.63 134.29 38.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 177.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.403 ' HD1' ' HA ' ' A' ' 29' ' ' PHE . 2.0 m-30 -109.96 134.35 52.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.877 176.454 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -105.35 143.26 33.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 176.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.6 p -57.27 -25.4 23.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.18 177.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.9 mt -76.66 -31.6 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 175.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -94.46 9.82 36.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.971 -168.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.8 m -108.02 148.22 12.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.089 175.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.2 -34.97 78.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.125 -177.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.418 ' HB3' ' HB2' ' A' ' 39' ' ' LEU . 98.6 m-20 -107.88 85.39 2.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.631 0.729 . . . . 0.0 110.912 174.53 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -68.64 -60.69 0.08 OUTLIER 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.655 2.237 . . . . 0.0 112.347 178.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -66.79 -30.77 71.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 -177.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.418 ' HB2' ' HB3' ' A' ' 36' ' ' ASN . 91.3 mt -97.32 15.75 22.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 18.8 tt -56.01 132.7 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 176.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -138.54 176.37 8.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.929 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -39.82 130.32 1.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 172.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -74.25 3.84 6.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.817 -174.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.12 -5.31 17.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.113 177.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -148.33 81.98 1.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 171.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.0 m -140.54 160.02 24.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.155 177.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.2 t -140.41 144.9 36.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 169.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -154.87 170.01 22.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -167.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -110.67 134.03 21.02 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.611 0.72 . . . . 0.0 110.826 179.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.73 140.44 39.02 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.69 2.26 . . . . 0.0 112.347 -178.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 70.8 p -140.95 162.55 35.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 178.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.2 m -127.43 129.58 47.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.157 -178.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -120.68 99.99 6.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 175.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 59.98 -120.04 0.93 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -173.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -96.58 4.59 51.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 177.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -106.08 137.35 13.77 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.454 -177.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 99.4 mt -84.26 141.66 30.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.837 0.351 . . . . 0.0 110.866 177.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 78.4 p -147.4 175.73 10.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 176.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -148.46 142.64 26.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.13 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -140.05 175.88 9.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.991 -178.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 59.71 54.13 4.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.079 -172.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 52.8 t -91.89 105.43 16.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.133 -175.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -105.18 136.57 44.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -177.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 94.5 t -85.32 125.76 40.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.099 177.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 29.1 m -118.85 148.19 43.97 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.614 0.721 . . . . 0.0 111.09 -170.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_endo -74.21 152.68 45.3 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.587 2.192 . . . . 0.0 112.323 177.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 94.9 mt -104.9 5.35 32.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 176.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -156.07 159.88 39.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 65.7 t-80 -70.09 135.82 49.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 178.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -120.61 153.45 36.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 178.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -117.23 144.99 44.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -178.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -134.86 153.01 52.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -178.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -88.03 150.0 23.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 85.3 t60 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.835 -179.676 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 CA--C 1.526 0.023 0 CA-C-O 120.827 0.346 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.45 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . . . -92.59 -13.01 30.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 -171.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 62.4 tpp -149.86 151.46 33.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.888 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 17.0 p30 -129.92 162.55 28.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.885 171.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -172.33 -163.45 26.21 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.48 -175.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.0 t -130.35 141.56 50.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 0.0 111.138 -179.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 87.8 mt -83.37 124.96 40.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.142 -172.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 78.4 p -103.49 -28.9 11.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.226 -178.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 89.4 m -148.45 125.0 11.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.229 174.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -99.19 135.47 40.54 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.87 -175.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.627 ' CD2' ' O ' ' A' ' 11' ' ' PHE . 45.5 p90 -80.03 80.71 6.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.977 178.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -69.06 -68.83 0.37 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -178.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -100.21 -33.47 10.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 -174.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -90.4 -23.09 21.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -158.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.73 23.64 66.66 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.541 -175.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.436 ' C ' ' HB3' ' A' ' 11' ' ' PHE . 87.0 m-85 -128.71 116.2 19.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.863 0.363 . . . . 0.0 110.825 171.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -133.95 174.23 20.93 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 175.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -135.55 144.03 46.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.788 0.328 . . . . 0.0 110.871 -176.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.5 tp -130.33 136.53 58.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.181 -179.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -100.07 119.97 39.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 176.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 48.8 p30 -94.54 -178.82 4.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 -170.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -64.28 -20.2 65.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -90.13 -9.47 48.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -176.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.58 7.27 65.11 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.396 177.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -90.07 168.21 12.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.83 0.347 . . . . 0.0 110.863 -178.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -115.02 116.35 28.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 178.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 68.2 mtt85 -113.66 155.01 26.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -178.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -82.38 138.23 34.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.996 -172.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.6 m-30 -109.17 132.49 54.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 169.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -134.46 144.41 48.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.818 175.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.6 p -56.91 -28.98 29.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.076 -177.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.415 HG13 ' HG3' ' A' ' 33' ' ' LYS . 47.9 pt -77.79 -18.45 13.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.129 179.176 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.439 ' HB3' ' HA ' ' A' ' 60' ' ' TYR . 97.3 mttt -105.32 -4.17 21.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.329 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.478 HG22 ' HB ' ' A' ' 62' ' ' VAL . 86.1 t -106.51 123.38 61.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 177.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.81 -40.32 63.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.176 -171.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -85.06 155.64 60.71 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.646 0.736 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_exo -54.61 140.28 75.9 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.759 2.306 . . . . 0.0 112.362 -170.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 58.4 p30 -65.68 -5.29 8.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.842 174.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 98.4 mt -85.52 -8.78 58.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.955 175.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.3 mm -108.84 112.46 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.109 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.493 ' O ' ' HB2' ' A' ' 42' ' ' LYS . 65.6 pttt -130.64 154.1 48.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.972 179.535 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 41' ' ' LYS . 84.4 tttt 173.72 109.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.917 178.251 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 57.2 p-10 -74.55 -7.32 52.72 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.837 -174.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.438 ' HB3' ' HE2' ' A' ' 42' ' ' LYS . . . -80.83 -7.22 59.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.054 -176.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -166.93 125.76 1.4 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.042 176.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.0 p -162.54 145.0 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.095 169.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 58.4 m -132.03 140.62 48.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.102 178.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -154.75 168.14 27.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -171.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -107.8 127.4 27.78 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.651 0.738 . . . . 0.0 110.915 172.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.45 ' HD2' ' HB3' ' A' ' 2' ' ' ALA . 85.3 Cg_endo -81.55 158.71 19.34 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.665 2.244 . . . . 0.0 112.294 -173.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.1 p -135.58 170.79 15.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 171.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.4 m -140.88 122.43 15.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 169.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' ' 56' ' ' GLY . 57.3 m-80 -120.29 162.89 18.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -176.581 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -67.48 -26.85 66.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 175.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -96.14 -10.28 28.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.427 ' O ' ' HB2' ' A' ' 53' ' ' ASN . . . 138.36 148.44 5.33 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.474 175.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.841 HD13 ' H ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -71.75 157.11 38.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.841 0.353 . . . . 0.0 110.888 -172.654 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 85.7 p -148.59 176.68 10.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 178.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -130.44 147.49 52.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.129 -176.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.439 ' HA ' ' HB3' ' A' ' 33' ' ' LYS . 26.0 p90 -145.09 174.08 11.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.943 179.42 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 55.14 49.44 17.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.082 -178.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.478 ' HB ' HG22 ' A' ' 34' ' ' VAL . 50.9 t -90.1 133.52 31.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.084 -171.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -123.44 124.93 43.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.949 175.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 97.5 t -111.69 136.51 47.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 174.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.7 m -67.59 150.73 97.69 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.629 0.728 . . . . 0.0 111.207 -170.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -66.32 150.72 84.46 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.544 2.162 . . . . 0.0 112.397 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 76.7 mt -101.38 40.6 1.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -176.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 62.4 38.15 13.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -177.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -134.88 66.19 1.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 173.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -165.23 140.05 5.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.843 -177.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -158.66 137.38 11.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 177.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 56.7 p-80 -155.65 165.04 37.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.801 -178.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 67.6 m170 55.28 45.37 25.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.815 -177.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 83.8 t60 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.89 -178.412 . . . . . . . . 0 0 . 1 stop_ save_